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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[methyl-[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(benzylcarbamoyl)phenyl]-methyl-carbamothioyl]-3-bromo-4-isopentyloxy-benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[N-methyl-2-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(benzylcarbamoyl)phenyl]-methylcarbamothioyl]-3-bromo-4-(3-methylbutoxy)benzamide Traditional Name: N-[[2-(benzylcarbamoyl)phenyl]-methyl-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)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCC3=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)32(3)24-12-8-7-11-22(24)27(34)30-18-20-9-5-4-6-10-20/h4-14,17,19H,15-16,18H2,1-3H3,(H,30,34)(H,31,33,36)