N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)OC

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C25H25N3O3S/c1-16(2)23(29)27-21-14-13-20(15-22(21)31-3)26-25(32)28-24(30)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3,(H,27,29)(H2,26,28,30,32)