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

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-[[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(benzylcarbamoyl)phenyl]carbamothioyl]-3-bromo-4-isobutoxy-benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[[2-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(benzylcarbamoyl)phenyl]carbamothioyl]-3-bromo-4-(2-methylpropoxy)benzamide Traditional Name: N-[[2-(benzylcarbamoyl)phenyl]thiocarbamoyl]-3-bromo-4-isobutoxy-benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H26BrN3O3S/c1-17(2)16-33-23-13-12-19(14-21(23)27)24(31)30-26(34)29-22-11-7-6-10-20(22)25(32)28-15-18-8-4-3-5-9-18/h3-14,17H,15-16H2,1-2H3,(H,28,32)(H2,29,30,31,34)