1-[3-[(Z)-N-(ethylcarbamothioylamino)-C-methyl-carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[3-[(Z)-N-(ethylcarbamothioylamino)-C-methyl-carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[3-[(Z)-N-(ethylcarbamothioylamino)-C-methyl-carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[3-[(1Z)-1-[[ethylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[(Z)-N-(ethylcarbamothioylamino)-C-methylcarbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[3-[(Z)-N-(ethylthiocarbamoylamino)-C-methyl-carbonimidoyl]phenyl]sulfonylisonipecotic acid Formula: C17H24N4O4S2 MolecularWeight: 412.52686

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=C(C)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CCNC(=S)N/N=C(/C)\C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C17H24N4O4S2/c1-3-18-17(26)20-19-12(2)14-5-4-6-15(11-14)27(24,25)21-9-7-13(8-10-21)16(22)23/h4-6,11,13H,3,7-10H2,1-2H3,(H,22,23)(H2,18,20,26)/b19-12-