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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(benzylcarbamoyl)phenyl]carbamothioyl]-3-bromo-4-hexoxy-benzamide CAS Name: 3-bromo-4-hexoxy-N-[[2-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(benzylcarbamoyl)phenyl]carbamothioyl]-3-bromo-4-hexoxybenzamide Traditional Name: N-[[2-(benzylcarbamoyl)phenyl]thiocarbamoyl]-3-bromo-4-hexoxy-benzamide Formula: C28H30BrN3O3S MolecularWeight: 568.5251

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)Br

InChI

InChI=1S/C28H30BrN3O3S/c1-2-3-4-10-17-35-25-16-15-21(18-23(25)29)26(33)32-28(36)31-24-14-9-8-13-22(24)27(34)30-19-20-11-6-5-7-12-20/h5-9,11-16,18H,2-4,10,17,19H2,1H3,(H,30,34)(H2,31,32,33,36)