3-bromanyl-N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[4-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C27H26BrClN4O3S MolecularWeight: 601.94234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)Br

InChI

InChI=1S/C27H26BrClN4O3S/c1-2-36-24-12-5-19(17-23(24)28)25(34)31-27(37)30-21-8-10-22(11-9-21)32-13-15-33(16-14-32)26(35)18-3-6-20(29)7-4-18/h3-12,17H,2,13-16H2,1H3,(H2,30,31,34,37)