S-[[5-(1-hydroxyethyl)-2-methoxy-4-methyl-phenyl]amino] 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate

Systemtic Name: S-[[5-(1-hydroxyethyl)-2-methoxy-4-methyl-phenyl]amino] 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate Openeye Name: S-[5-(1-hydroxyethyl)-2-methoxy-4-methyl-anilino] 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate CAS Name: 4-(3,5-dimethoxyphenyl)-1-piperazinecarbothioic acid S-[5-(1-hydroxyethyl)-2-methoxy-4-methylanilino] ester IUPAC Name: S-[5-(1-hydroxyethyl)-2-methoxy-4-methylanilino] 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate Traditional Name: 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioic acid S-[5-(1-hydroxyethyl)-2-methoxy-4-methyl-anilino] ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)O)NSC(=O)N2CCN(CC2)C3=CC(=CC(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C(C)O)NSC(=O)N2CCN(CC2)C3=CC(=CC(=C3)OC)OC)OC

InChI

InChI=1S/C23H31N3O5S/c1-15-10-22(31-5)21(14-20(15)16(2)27)24-32-23(28)26-8-6-25(7-9-26)17-11-18(29-3)13-19(12-17)30-4/h10-14,16,24,27H,6-9H2,1-5H3