N-[[3-(aminomethyl)phenyl]methyl]-4-[[(4-tert-butyl-1,3-thiazol-2-yl)-phenethyl-amino]methyl]benzamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-4-[[(4-tert-butyl-1,3-thiazol-2-yl)-phenethyl-amino]methyl]benzamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-4-[[(4-tert-butylthiazol-2-yl)-phenethyl-amino]methyl]benzamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-4-[[(4-tert-butyl-2-thiazolyl)-phenethylamino]methyl]benzamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-4-[[(4-tert-butyl-1,3-thiazol-2-yl)-phenethylamino]methyl]benzamide Traditional Name: N-[3-(aminomethyl)benzyl]-4-[[(4-tert-butylthiazol-2-yl)-phenethyl-amino]methyl]benzamide Formula: C31H36N4OS MolecularWeight: 512.70874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NCC4=CC=CC(=C4)CN

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NCC4=CC=CC(=C4)CN

InChI

InChI=1S/C31H36N4OS/c1-31(2,3)28-22-37-30(34-28)35(17-16-23-8-5-4-6-9-23)21-24-12-14-27(15-13-24)29(36)33-20-26-11-7-10-25(18-26)19-32/h4-15,18,22H,16-17,19-21,32H2,1-3H3,(H,33,36)