S-benzamido 11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carbothioate

Systemtic Name: S-benzamido 11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carbothioate Openeye Name: S-benzamido 11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carbothioate CAS Name: 11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carbothioic acid S-benzamido ester IUPAC Name: S-benzamido 11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carbothioate Traditional Name: 11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carbothioic acid S-benzamido ester Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCN(CCC2=NC3=CC=CC=C13)C(=O)SNC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C2CCN(CCC2=NC3=CC=CC=C13)C(=O)SNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-15-17-9-5-6-10-19(17)23-20-12-14-25(13-11-18(15)20)22(27)28-24-21(26)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,24,26)