4-azanyl-5-(4-methoxyphenyl)carbonyl-N-phenyl-2-[(phenylmethyl)amino]-1H-pyrrole-3-carbothioamide

Systemtic Name: 4-azanyl-5-(4-methoxyphenyl)carbonyl-N-phenyl-2-[(phenylmethyl)amino]-1H-pyrrole-3-carbothioamide Openeye Name: 4-amino-2-(benzylamino)-5-(4-methoxybenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide CAS Name: 4-amino-5-[(4-methoxyphenyl)-oxomethyl]-N-phenyl-2-[(phenylmethyl)amino]-1H-pyrrole-3-carbothioamide IUPAC Name: 4-amino-2-(benzylamino)-5-(4-methoxybenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide Traditional Name: 4-amino-2-(benzylamino)-5-p-anisoyl-N-phenyl-1H-pyrrole-3-carbothioamide Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)NCC3=CC=CC=C3)C(=S)NC4=CC=CC=C4)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)NCC3=CC=CC=C3)C(=S)NC4=CC=CC=C4)N

InChI

InChI=1S/C26H24N4O2S/c1-32-20-14-12-18(13-15-20)24(31)23-22(27)21(26(33)29-19-10-6-3-7-11-19)25(30-23)28-16-17-8-4-2-5-9-17/h2-15,28,30H,16,27H2,1H3,(H,29,33)