N-[5-[2-(methylaminomethyl)-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]-4-[3-[(4-oxidanylpiperidin-1-yl)methyl]indol-1-yl]benzamide

Systemtic Name: N-[5-[2-(methylaminomethyl)-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]-4-[3-[(4-oxidanylpiperidin-1-yl)methyl]indol-1-yl]benzamide Openeye Name: N-[5-[4-(1-ethylpropylcarbamoylamino)-2-(methylaminomethyl)phenoxy]thiazol-2-yl]-4-[3-[(4-hydroxy-1-piperidyl)methyl]indol-1-yl]benzamide CAS Name: 4-[3-[(4-hydroxy-1-piperidinyl)methyl]-1-indolyl]-N-[5-[2-(methylaminomethyl)-4-[[oxo-(pentan-3-ylamino)methyl]amino]phenoxy]-2-thiazolyl]benzamide IUPAC Name: 4-[3-[(4-hydroxypiperidin-1-yl)methyl]indol-1-yl]-N-[5-[2-(methylaminomethyl)-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]benzamide Traditional Name: N-[5-[4-(1-ethylpropylcarbamoylamino)-2-(methylaminomethyl)phenoxy]thiazol-2-yl]-4-[3-[(4-hydroxypiperidino)methyl]indol-1-yl]benzamide Formula: C38H45N7O4S MolecularWeight: 695.8734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)NC1=CC(=C(C=C1)OC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)N4C=C(C5=CC=CC=C54)CN6CCC(CC6)O)CNC

Isomeric SMILES

CCC(CC)NC(=O)NC1=CC(=C(C=C1)OC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)N4C=C(C5=CC=CC=C54)CN6CCC(CC6)O)CNC

InChI

InChI=1S/C38H45N7O4S/c1-4-28(5-2)41-37(48)42-29-12-15-34(26(20-29)21-39-3)49-35-22-40-38(50-35)43-36(47)25-10-13-30(14-11-25)45-24-27(32-8-6-7-9-33(32)45)23-44-18-16-31(46)17-19-44/h6-15,20,22,24,28,31,39,46H,4-5,16-19,21,23H2,1-3H3,(H,40,43,47)(H2,41,42,48)