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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[3-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-isopentyloxy-benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[3-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-(3-methylbutoxy)benzamide Traditional Name: N-[[3-[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(=C2)C(=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(=C2)C(=O)N(C)CC3=CC=CC=C3)Br

InChI

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