2-[(4-ethylsulfanylphenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 2-[(4-ethylsulfanylphenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 2-[(4-ethylsulfanylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[[4-(ethylthio)phenyl]-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-[(4-ethylsulfanylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 2-[[4-(ethylthio)benzoyl]amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C18H22N3O2S2+ MolecularWeight: 376.51618

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C[NH+](CC3)C)C(=O)N

Isomeric SMILES

CCSC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C[NH+](CC3)C)C(=O)N

InChI

InChI=1S/C18H21N3O2S2/c1-3-24-12-6-4-11(5-7-12)17(23)20-18-15(16(19)22)13-8-9-21(2)10-14(13)25-18/h4-7H,3,8-10H2,1-2H3,(H2,19,22)(H,20,23)/p+1