S-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate

Systemtic Name: S-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate Openeye Name: S-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate CAS Name: 4-(3,5-dimethylphenyl)-1-piperazinecarbothioic acid S-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)amino] ester IUPAC Name: S-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate Traditional Name: 4-(3,5-dimethylphenyl)piperazine-1-carbothioic acid S-[(2-methoxy-1-pyrindan-3-yl)amino] ester Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=C(N=C4CCCC4=C3)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=C(N=C4CCCC4=C3)OC)C

InChI

InChI=1S/C22H28N4O2S/c1-15-11-16(2)13-18(12-15)25-7-9-26(10-8-25)22(27)29-24-20-14-17-5-4-6-19(17)23-21(20)28-3/h11-14,24H,4-10H2,1-3H3