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

Systemtic Name: 2-[(3-ethylsulfanylphenyl)carbonylamino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 2-[(3-ethylsulfanylbenzoyl)amino]-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[[3-(ethylthio)phenyl]-oxomethyl]amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-[(3-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 2-[[3-(ethylthio)benzoyl]amino]-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C20H26N3O2S2+ MolecularWeight: 404.56934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S2/c1-4-26-14-7-5-6-13(10-14)19(25)22-20-17(18(21)24)15-8-9-23(12(2)3)11-16(15)27-20/h5-7,10,12H,4,8-9,11H2,1-3H3,(H2,21,24)(H,22,25)/p+1