2,2-dimethyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]propanamide Openeye Name: 2,2-dimethyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]propanamide CAS Name: 2,2-dimethyl-N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]propanamide Traditional Name: 2,2-dimethyl-N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]propionamide Formula: C17H26N4O3S2 MolecularWeight: 398.54334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C

InChI

InChI=1S/C17H26N4O3S2/c1-17(2,3)15(22)19-16(25)18-13-5-7-14(8-6-13)26(23,24)21-11-9-20(4)10-12-21/h5-8H,9-12H2,1-4H3,(H2,18,19,22,25)