[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone

Systemtic Name: [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Openeye Name: [4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone CAS Name: [4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone IUPAC Name: [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Traditional Name: [4-(4-sec-butylphenyl)sulfonylpiperazino]-(2-thioxo-1H-pyridin-3-yl)methanone Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=S

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=S

InChI

InChI=1S/C20H25N3O3S2/c1-3-15(2)16-6-8-17(9-7-16)28(25,26)23-13-11-22(12-14-23)20(24)18-5-4-10-21-19(18)27/h4-10,15H,3,11-14H2,1-2H3,(H,21,27)