N-butyl-1-(cyclohexylmethyl)-2-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide

Systemtic Name: N-butyl-1-(cyclohexylmethyl)-2-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide Openeye Name: N-butyl-1-(cyclohexylmethyl)-2-methyl-5-[2-(m-tolyl)thiazol-4-yl]pyrrole-3-carboxamide CAS Name: N-butyl-1-(cyclohexylmethyl)-2-methyl-5-[2-(3-methylphenyl)-4-thiazolyl]-3-pyrrolecarboxamide IUPAC Name: N-butyl-1-(cyclohexylmethyl)-2-methyl-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide Traditional Name: N-butyl-1-(cyclohexylmethyl)-2-methyl-5-[2-(m-tolyl)thiazol-4-yl]pyrrole-3-carboxamide Formula: C27H35N3OS MolecularWeight: 449.6513

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C3=CC(=CC=C3)C)CC4CCCCC4)C

Isomeric SMILES

CCCCNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C3=CC(=CC=C3)C)CC4CCCCC4)C

InChI

InChI=1S/C27H35N3OS/c1-4-5-14-28-26(31)23-16-25(30(20(23)3)17-21-11-7-6-8-12-21)24-18-32-27(29-24)22-13-9-10-19(2)15-22/h9-10,13,15-16,18,21H,4-8,11-12,14,17H2,1-3H3,(H,28,31)