N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2,5-dimethyl-1-thiazol-2-yl-pyrrole-3-carboxamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolecarboxamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide Traditional Name: N-[3-(cyclopropanecarbonylamino)benzyl]-2,5-dimethyl-1-thiazol-2-yl-pyrrole-3-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C21H22N4O2S/c1-13-10-18(14(2)25(13)21-22-8-9-28-21)20(27)23-12-15-4-3-5-17(11-15)24-19(26)16-6-7-16/h3-5,8-11,16H,6-7,12H2,1-2H3,(H,23,27)(H,24,26)