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

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

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)Br

InChI

InChI=1S/C27H28BrN3O3S/c1-18(2)14-15-34-24-13-12-20(16-22(24)28)25(32)31-27(35)30-23-11-7-6-10-21(23)26(33)29-17-19-8-4-3-5-9-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,29,33)(H2,30,31,32,35)