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

Systemtic Name: S-[(2-methoxy-4,5-dimethyl-phenyl)amino] 4-(2-phenoxyphenyl)piperazine-1-carbothioate Openeye Name: S-(2-methoxy-4,5-dimethyl-anilino) 4-(2-phenoxyphenyl)piperazine-1-carbothioate CAS Name: 4-(2-phenoxyphenyl)-1-piperazinecarbothioic acid S-(2-methoxy-4,5-dimethylanilino) ester IUPAC Name: S-(2-methoxy-4,5-dimethylanilino) 4-(2-phenoxyphenyl)piperazine-1-carbothioate Traditional Name: 4-(2-phenoxyphenyl)piperazine-1-carbothioic acid S-(2-methoxy-4,5-dimethyl-anilino) ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c1-19-17-22(25(31-3)18-20(19)2)27-33-26(30)29-15-13-28(14-16-29)23-11-7-8-12-24(23)32-21-9-5-4-6-10-21/h4-12,17-18,27H,13-16H2,1-3H3