N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: 3-isobutoxy-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[(N-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: 3-isobutoxy-N-[[4-[methyl(phenyl)carbamoyl]phenyl]thiocarbamoyl]benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C26H27N3O3S/c1-18(2)17-32-23-11-7-8-20(16-23)24(30)28-26(33)27-21-14-12-19(13-15-21)25(31)29(3)22-9-5-4-6-10-22/h4-16,18H,17H2,1-3H3,(H2,27,28,30,33)