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

Systemtic Name: 4-azanyl-5-ethanoyl-2-[(4-methoxyphenyl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide Openeye Name: 5-acetyl-4-amino-2-(4-methoxyanilino)-N-phenyl-1H-pyrrole-3-carbothioamide CAS Name: 5-acetyl-4-amino-2-(4-methoxyanilino)-N-phenyl-1H-pyrrole-3-carbothioamide IUPAC Name: 5-acetyl-4-amino-2-(4-methoxyanilino)-N-phenyl-1H-pyrrole-3-carbothioamide Traditional Name: 5-acetyl-4-amino-2-(p-anisidino)-N-phenyl-1H-pyrrole-3-carbothioamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(N1)NC2=CC=C(C=C2)OC)C(=S)NC3=CC=CC=C3)N

Isomeric SMILES

CC(=O)C1=C(C(=C(N1)NC2=CC=C(C=C2)OC)C(=S)NC3=CC=CC=C3)N

InChI

InChI=1S/C20H20N4O2S/c1-12(25)18-17(21)16(20(27)23-13-6-4-3-5-7-13)19(24-18)22-14-8-10-15(26-2)11-9-14/h3-11,22,24H,21H2,1-2H3,(H,23,27)