S-[(2-methoxy-4,5-dimethyl-phenyl)amino] 4-(3-hydroxyphenyl)piperazine-1-carbothioate

Systemtic Name: S-[(2-methoxy-4,5-dimethyl-phenyl)amino] 4-(3-hydroxyphenyl)piperazine-1-carbothioate Openeye Name: S-(2-methoxy-4,5-dimethyl-anilino) 4-(3-hydroxyphenyl)piperazine-1-carbothioate CAS Name: 4-(3-hydroxyphenyl)-1-piperazinecarbothioic acid S-(2-methoxy-4,5-dimethylanilino) ester IUPAC Name: S-(2-methoxy-4,5-dimethylanilino) 4-(3-hydroxyphenyl)piperazine-1-carbothioate Traditional Name: 4-(3-hydroxyphenyl)piperazine-1-carbothioic acid S-(2-methoxy-4,5-dimethyl-anilino) ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-14-11-18(19(26-3)12-15(14)2)21-27-20(25)23-9-7-22(8-10-23)16-5-4-6-17(24)13-16/h4-6,11-13,21,24H,7-10H2,1-3H3