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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-[(N-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[4-[methyl(phenyl)carbamoyl]phenyl]thiocarbamoyl]benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N(C)C3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N(C)C3=CC=CC=C3)Br

InChI

InChI=1S/C27H28BrN3O3S/c1-18(2)15-16-34-24-14-11-20(17-23(24)28)25(32)30-27(35)29-21-12-9-19(10-13-21)26(33)31(3)22-7-5-4-6-8-22/h4-14,17-18H,15-16H2,1-3H3,(H2,29,30,32,35)