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

Systemtic Name: S-[2-(3H-benzimidazol-5-ylamino)-2-oxidanylidene-ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate Openeye Name: S-[2-(3H-benzimidazol-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-(3H-benzimidazol-5-ylamino)-2-oxoethyl] ester IUPAC Name: S-[2-(3H-benzimidazol-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-(3H-benzimidazol-5-ylamino)-2-keto-ethyl] ester Formula: C20H20N4O2S MolecularWeight: 380.4634

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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)N=CN4

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C20H20N4O2S/c1-13-4-7-18-14(9-13)3-2-8-24(18)20(26)27-11-19(25)23-15-5-6-16-17(10-15)22-12-21-16/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,21,22)(H,23,25)