N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: N-[3-(isobutyrylamino)benzyl]-3-phenyl-2-thioxo-4-imidazoline-4-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-14(2)19(26)24-16-8-6-7-15(11-16)12-22-20(27)18-13-23-21(28)25(18)17-9-4-3-5-10-17/h3-11,13-14H,12H2,1-2H3,(H,22,27)(H,23,28)(H,24,26)