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

Systemtic Name: S-[[5-(1-hydroxyethyl)-2-methoxy-4-methyl-phenyl]amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate Openeye Name: S-[5-(1-hydroxyethyl)-2-methoxy-4-methyl-anilino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate CAS Name: 4-(3,5-dimethylphenyl)-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-dimethylphenyl)piperazine-1-carbothioate Traditional Name: 4-(3,5-dimethylphenyl)piperazine-1-carbothioic acid S-[5-(1-hydroxyethyl)-2-methoxy-4-methyl-anilino] ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-15-10-16(2)12-19(11-15)25-6-8-26(9-7-25)23(28)30-24-21-14-20(18(4)27)17(3)13-22(21)29-5/h10-14,18,24,27H,6-9H2,1-5H3