3-chloranyl-N-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-chloranyl-N-[[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-chloro-N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-chloro-N-[[3-chloro-4-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-chloro-N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-chloro-N-[[3-chloro-4-(4-methylpiperazino)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C21H24Cl2N4O2S MolecularWeight: 467.41186

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H24Cl2N4O2S/c1-3-29-19-7-4-14(12-17(19)23)20(28)25-21(30)24-15-5-6-18(16(22)13-15)27-10-8-26(2)9-11-27/h4-7,12-13H,3,8-11H2,1-2H3,(H2,24,25,28,30)