3-bromanyl-N-[[2-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[2-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-phenethyloxybenzamide Traditional Name: N-[[2-[benzyl(methyl)carbamoyl]phenyl]thiocarbamoyl]-3-bromo-4-phenethyloxy-benzamide Formula: C31H28BrN3O3S MolecularWeight: 602.54132

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

InChI

InChI=1S/C31H28BrN3O3S/c1-35(21-23-12-6-3-7-13-23)30(37)25-14-8-9-15-27(25)33-31(39)34-29(36)24-16-17-28(26(32)20-24)38-19-18-22-10-4-2-5-11-22/h2-17,20H,18-19,21H2,1H3,(H2,33,34,36,39)