2-(cyclohexylcarbamothioylamino)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

Systemtic Name: 2-(cyclohexylcarbamothioylamino)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Openeye Name: 6-benzyl-2-(cyclohexylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid CAS Name: 2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid IUPAC Name: 6-benzyl-2-(cyclohexylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Traditional Name: 6-benzyl-2-(cyclohexylthiocarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=S)NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H27N3O2S2/c26-21(27)19-17-11-12-25(13-15-7-3-1-4-8-15)14-18(17)29-20(19)24-22(28)23-16-9-5-2-6-10-16/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,26,27)(H2,23,24,28)