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

Systemtic Name: 2-[(4-bromophenyl)carbonylcarbamothioylamino]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 2-[(4-bromobenzoyl)carbamothioylamino]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[[[(4-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-[(4-bromobenzoyl)carbamothioylamino]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 2-[(4-bromobenzoyl)thiocarbamoylamino]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C18H20BrN4O2S2+ MolecularWeight: 468.411

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN4O2S2/c1-2-23-8-7-12-13(9-23)27-17(14(12)15(20)24)22-18(26)21-16(25)10-3-5-11(19)6-4-10/h3-6H,2,7-9H2,1H3,(H2,20,24)(H2,21,22,25,26)/p+1