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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H26BrN3O3S/c1-2-3-15-33-23-14-13-19(16-21(23)27)24(31)30-26(34)29-22-12-8-7-11-20(22)25(32)28-17-18-9-5-4-6-10-18/h4-14,16H,2-3,15,17H2,1H3,(H,28,32)(H2,29,30,31,34)