N-[5-(4-methoxy-2-methyl-5-morpholin-4-ylcarbonyl-phenyl)sulfanyl-1,3-thiazol-2-yl]-5-[(3-methylbutan-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-[(3-methylbutan-2-ylamino)methyl]-1H-pyrrole-2-carboxamide Openeye Name: 5-[(1,2-dimethylpropylamino)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-[(3-methylbutan-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-[(3-methylbutan-2-ylamino)methyl]-1H-pyrrole-2-carboxamide Traditional Name: 5-[(1,2-dimethylpropylamino)methyl]-N-[5-[[4-methoxy-2-methyl-5-(morpholine-4-carbonyl)phenyl]thio]thiazol-2-yl]-1H-pyrrole-2-carboxamide Formula: C27H35N5O4S2 MolecularWeight: 557.7279

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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)C(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)C(C)C

InChI

InChI=1S/C27H35N5O4S2/c1-16(2)18(4)28-14-19-6-7-21(30-19)25(33)31-27-29-15-24(38-27)37-23-13-20(22(35-5)12-17(23)3)26(34)32-8-10-36-11-9-32/h6-7,12-13,15-16,18,28,30H,8-11,14H2,1-5H3,(H,29,31,33)