N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]propanamide

Systemtic Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]propanamide Openeye Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]propanamide CAS Name: N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]propanamide Traditional Name: N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]propionamide Formula: C15H22N4O3S2 MolecularWeight: 370.49018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C15H22N4O3S2/c1-3-14(20)17-15(23)16-12-6-4-5-7-13(12)18-8-10-19(11-9-18)24(2,21)22/h4-7H,3,8-11H2,1-2H3,(H2,16,17,20,23)