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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[2-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-isopentyloxy-benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[2-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-(3-methylbutoxy)benzamide Traditional Name: N-[[2-[benzyl(methyl)carbamoyl]phenyl]thiocarbamoyl]-3-bromo-4-isoamoxy-benzamide Formula: C28H30BrN3O3S MolecularWeight: 568.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(C)CC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N(C)CC3=CC=CC=C3)Br

InChI

InChI=1S/C28H30BrN3O3S/c1-19(2)15-16-35-25-14-13-21(17-23(25)29)26(33)31-28(36)30-24-12-8-7-11-22(24)27(34)32(3)18-20-9-5-4-6-10-20/h4-14,17,19H,15-16,18H2,1-3H3,(H2,30,31,33,36)