[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(2-thioxo-1H-pyridin-3-yl)methanone Formula: C16H24N4O3S2 MolecularWeight: 384.51676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=S

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=S

InChI

InChI=1S/C16H24N4O3S2/c21-16(14-6-5-7-17-15(14)24)18-10-12-20(13-11-18)25(22,23)19-8-3-1-2-4-9-19/h5-7H,1-4,8-13H2,(H,17,24)