S-[(2-methoxyquinolin-3-yl)amino] 4-(3-chlorophenyl)piperazine-1-carbothioate

Systemtic Name: S-[(2-methoxyquinolin-3-yl)amino] 4-(3-chlorophenyl)piperazine-1-carbothioate Openeye Name: S-[(2-methoxy-3-quinolyl)amino] 4-(3-chlorophenyl)piperazine-1-carbothioate CAS Name: 4-(3-chlorophenyl)-1-piperazinecarbothioic acid S-[(2-methoxy-3-quinolinyl)amino] ester IUPAC Name: S-[(2-methoxyquinolin-3-yl)amino] 4-(3-chlorophenyl)piperazine-1-carbothioate Traditional Name: 4-(3-chlorophenyl)piperazine-1-carbothioic acid S-[(2-methoxy-3-quinolyl)amino] ester Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=CC=CC=C2C=C1NSC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=NC2=CC=CC=C2C=C1NSC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H21ClN4O2S/c1-28-20-19(13-15-5-2-3-8-18(15)23-20)24-29-21(27)26-11-9-25(10-12-26)17-7-4-6-16(22)14-17/h2-8,13-14,24H,9-12H2,1H3