N-[5-(4-methoxy-2-methyl-5-morpholin-4-ylcarbonyl-phenyl)sulfanyl-1,3-thiazol-2-yl]-5-[(4-methylpentan-2-ylamino)methyl]-1H-pyrrole-2-carboxamide

Systemtic Name: N-[5-(4-methoxy-2-methyl-5-morpholin-4-ylcarbonyl-phenyl)sulfanyl-1,3-thiazol-2-yl]-5-[(4-methylpentan-2-ylamino)methyl]-1H-pyrrole-2-carboxamide Openeye Name: 5-[(1,3-dimethylbutylamino)methyl]-N-[5-[4-methoxy-2-methyl-5-(morpholine-4-carbonyl)phenyl]sulfanylthiazol-2-yl]-1H-pyrrole-2-carboxamide CAS Name: N-[5-[[4-methoxy-2-methyl-5-[4-morpholinyl(oxo)methyl]phenyl]thio]-2-thiazolyl]-5-[(4-methylpentan-2-ylamino)methyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-[5-[4-methoxy-2-methyl-5-(morpholine-4-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-5-[(4-methylpentan-2-ylamino)methyl]-1H-pyrrole-2-carboxamide Traditional Name: 5-[(1,3-dimethylbutylamino)methyl]-N-[5-[[4-methoxy-2-methyl-5-(morpholine-4-carbonyl)phenyl]thio]thiazol-2-yl]-1H-pyrrole-2-carboxamide Formula: C28H37N5O4S2 MolecularWeight: 571.75448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OC)C(=O)N2CCOCC2)SC3=CN=C(S3)NC(=O)C4=CC=C(N4)CNC(C)CC(C)C

Isomeric SMILES

CC1=C(C=C(C(=C1)OC)C(=O)N2CCOCC2)SC3=CN=C(S3)NC(=O)C4=CC=C(N4)CNC(C)CC(C)C

InChI

InChI=1S/C28H37N5O4S2/c1-17(2)12-19(4)29-15-20-6-7-22(31-20)26(34)32-28-30-16-25(39-28)38-24-14-21(23(36-5)13-18(24)3)27(35)33-8-10-37-11-9-33/h6-7,13-14,16-17,19,29,31H,8-12,15H2,1-5H3,(H,30,32,34)