S-[2-(1H-indol-5-ylamino)-2-oxidanylidene-ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate

Systemtic Name: S-[2-(1H-indol-5-ylamino)-2-oxidanylidene-ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate Openeye Name: S-[2-(1H-indol-5-ylamino)-2-oxo-ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate CAS Name: 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioic acid S-[2-(1H-indol-5-ylamino)-2-oxoethyl] ester IUPAC Name: S-[2-(1H-indol-5-ylamino)-2-oxoethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate Traditional Name: 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioic acid S-[2-(1H-indol-5-ylamino)-2-keto-ethyl] ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC3=CC4=C(C=C3)NC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC3=CC4=C(C=C3)NC=C4

InChI

InChI=1S/C21H21N3O2S/c1-14-4-7-19-16(11-14)3-2-10-24(19)21(26)27-13-20(25)23-17-5-6-18-15(12-17)8-9-22-18/h4-9,11-12,22H,2-3,10,13H2,1H3,(H,23,25)