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

Systemtic Name: S-methoxy N-[3-[(4-prop-2-ynyl-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium-7-yl)carbamoyl]phenyl]carbamothioate Openeye Name: S-methoxy 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 methyl ester IUPAC Name: S-methoxy 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-methoxy ester Formula: C24H22N3O3S+ MolecularWeight: 432.51478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O3S/c1-3-12-27-21-9-5-6-16(21)13-18-15-20(10-11-22(18)27)25-23(28)17-7-4-8-19(14-17)26-24(29)31-30-2/h1,4,7-8,10-11,13-15H,5-6,9,12H2,2H3,(H-,25,26,28,29)/p+1