3-(2-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]propanamide

Systemtic Name: 3-(2-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]propanamide Openeye Name: 3-(2-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]propanamide CAS Name: 3-(2-chlorophenyl)-N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 3-(2-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]propanamide Traditional Name: 3-(2-chlorophenyl)-N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]propionamide Formula: C21H25ClN4O3S2 MolecularWeight: 481.0312

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3Cl

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN4O3S2/c1-25-12-14-26(15-13-25)31(28,29)18-9-7-17(8-10-18)23-21(30)24-20(27)11-6-16-4-2-3-5-19(16)22/h2-5,7-10H,6,11-15H2,1H3,(H2,23,24,27,30)