methyl 6-methyl-2-(phenylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: methyl 6-methyl-2-(phenylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 2-(benzoylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(benzoylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester Formula: C18H20N3O3S2+ MolecularWeight: 390.4997

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O3S2/c1-21-9-8-12-13(10-21)26-16(14(12)17(23)24-2)20-18(25)19-15(22)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,19,20,22,25)/p+1