6-ethyl-2-[(4-methoxyphenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 6-ethyl-2-[(4-methoxyphenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-ethyl-2-[(4-methoxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 6-ethyl-2-[[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 6-ethyl-2-[(4-methoxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-ethyl-2-(p-anisoylthiocarbamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C19H23N4O3S2+ MolecularWeight: 419.54092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3S2/c1-3-23-9-8-13-14(10-23)28-18(15(13)16(20)24)22-19(27)21-17(25)11-4-6-12(26-2)7-5-11/h4-7H,3,8-10H2,1-2H3,(H2,20,24)(H2,21,22,25,27)/p+1