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

Systemtic Name: N-butyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-(phenylmethyl)pyrrole-3-carboxamide Openeye Name: 1-benzyl-N-butyl-5-[2-(4-methoxyphenyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide CAS Name: N-butyl-5-[2-(4-methoxyphenyl)-4-thiazolyl]-2-methyl-1-(phenylmethyl)-3-pyrrolecarboxamide IUPAC Name: 1-benzyl-N-butyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide Traditional Name: 1-benzyl-N-butyl-5-[2-(4-methoxyphenyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C3=CC=C(C=C3)OC)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C3=CC=C(C=C3)OC)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H29N3O2S/c1-4-5-15-28-26(31)23-16-25(30(19(23)2)17-20-9-7-6-8-10-20)24-18-33-27(29-24)21-11-13-22(32-3)14-12-21/h6-14,16,18H,4-5,15,17H2,1-3H3,(H,28,31)