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

Systemtic Name: 4-azanyl-5-(4-methylphenyl)carbonyl-N-phenyl-2-[(phenylmethyl)amino]-1H-pyrrole-3-carbothioamide Openeye Name: 4-amino-2-(benzylamino)-5-(4-methylbenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide CAS Name: 4-amino-5-[(4-methylphenyl)-oxomethyl]-N-phenyl-2-[(phenylmethyl)amino]-1H-pyrrole-3-carbothioamide IUPAC Name: 4-amino-2-(benzylamino)-5-(4-methylbenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide Traditional Name: 4-amino-2-(benzylamino)-N-phenyl-5-p-toluoyl-1H-pyrrole-3-carbothioamide Formula: C26H24N4OS MolecularWeight: 440.55996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)NCC3=CC=CC=C3)C(=S)NC4=CC=CC=C4)N

Isomeric SMILES

CC1=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/C26H24N4OS/c1-17-12-14-19(15-13-17)24(31)23-22(27)21(26(32)29-20-10-6-3-7-11-20)25(30-23)28-16-18-8-4-2-5-9-18/h2-15,28,30H,16,27H2,1H3,(H,29,32)