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

Systemtic Name: S-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)amino] 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate Openeye Name: S-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)amino] 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate CAS Name: 4-(3,5-dimethoxyphenyl)-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-dimethoxyphenyl)piperazine-1-carbothioate Traditional Name: 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioic acid S-[(2-methoxy-1-pyrindan-3-yl)amino] ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=C(N=C4CCCC4=C3)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=C(N=C4CCCC4=C3)OC)OC

InChI

InChI=1S/C22H28N4O4S/c1-28-17-12-16(13-18(14-17)29-2)25-7-9-26(10-8-25)22(27)31-24-20-11-15-5-4-6-19(15)23-21(20)30-3/h11-14,24H,4-10H2,1-3H3