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

Systemtic Name: 4-azanyl-5-ethanoyl-N-phenyl-2-[(phenylmethyl)amino]-1H-pyrrole-3-carbothioamide Openeye Name: 5-acetyl-4-amino-2-(benzylamino)-N-phenyl-1H-pyrrole-3-carbothioamide CAS Name: 5-acetyl-4-amino-N-phenyl-2-[(phenylmethyl)amino]-1H-pyrrole-3-carbothioamide IUPAC Name: 5-acetyl-4-amino-2-(benzylamino)-N-phenyl-1H-pyrrole-3-carbothioamide Traditional Name: 5-acetyl-4-amino-2-(benzylamino)-N-phenyl-1H-pyrrole-3-carbothioamide Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(N1)NCC2=CC=CC=C2)C(=S)NC3=CC=CC=C3)N

Isomeric SMILES

CC(=O)C1=C(C(=C(N1)NCC2=CC=CC=C2)C(=S)NC3=CC=CC=C3)N

InChI

InChI=1S/C20H20N4OS/c1-13(25)18-17(21)16(20(26)23-15-10-6-3-7-11-15)19(24-18)22-12-14-8-4-2-5-9-14/h2-11,22,24H,12,21H2,1H3,(H,23,26)