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

Systemtic Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]butanamide Openeye Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]butanamide CAS Name: N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]butanamide Traditional Name: N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]butyramide Formula: C16H24N4O3S2 MolecularWeight: 384.51676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O3S2/c1-3-6-15(21)18-16(24)17-13-7-4-5-8-14(13)19-9-11-20(12-10-19)25(2,22)23/h4-5,7-8H,3,6,9-12H2,1-2H3,(H2,17,18,21,24)