N-[[3-chloranyl-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: N-[[3-chloranyl-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[3-chloro-4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[[3-chloro-4-[4-(2-chlorobenzyl)piperazino]phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C27H28Cl2N4O2S MolecularWeight: 543.50782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4Cl)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4Cl)Cl

InChI

InChI=1S/C27H28Cl2N4O2S/c1-2-35-22-10-7-19(8-11-22)26(34)31-27(36)30-21-9-12-25(24(29)17-21)33-15-13-32(14-16-33)18-20-5-3-4-6-23(20)28/h3-12,17H,2,13-16,18H2,1H3,(H2,30,31,34,36)