S-ethoxy N-[3-[(4-prop-2-ynyl-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium-7-yl)carbamoyl]phenyl]carbamothioate

Systemtic Name: S-ethoxy N-[3-[(4-prop-2-ynyl-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium-7-yl)carbamoyl]phenyl]carbamothioate Openeye Name: S-ethoxy N-[3-[(4-prop-2-ynyl-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium-7-yl)carbamoyl]phenyl]carbamothioate CAS Name: oxo-[3-[oxo-[(4-prop-2-ynyl-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium-7-yl)amino]methyl]anilino]methanesulfenic acid ethyl ester IUPAC Name: S-ethoxy N-[3-[(4-prop-2-ynyl-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium-7-yl)carbamoyl]phenyl]carbamothioate Traditional Name: N-[3-[(4-propargyl-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium-7-yl)carbamoyl]phenyl]thiocarbamic acid S-ethoxy ester Formula: C25H24N3O3S+ MolecularWeight: 446.54136

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Descriptors Computed from Structure

Canonical SMILES:

CCOSC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC3=CC4=C(CCC4)[N+](=C3C=C2)CC#C

Isomeric SMILES

CCOSC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC3=CC4=C(CCC4)[N+](=C3C=C2)CC#C

InChI

InChI=1S/C25H23N3O3S/c1-3-13-28-22-10-6-7-17(22)14-19-16-21(11-12-23(19)28)26-24(29)18-8-5-9-20(15-18)27-25(30)32-31-4-2/h1,5,8-9,11-12,14-16H,4,6-7,10,13H2,2H3,(H-,26,27,29,30)/p+1