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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3)Br

InChI

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