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

Systemtic Name: S-[(2-methoxy-4,5-dimethyl-phenyl)amino] 4-(2-methoxyphenyl)piperazine-1-carbothioate Openeye Name: S-(2-methoxy-4,5-dimethyl-anilino) 4-(2-methoxyphenyl)piperazine-1-carbothioate CAS Name: 4-(2-methoxyphenyl)-1-piperazinecarbothioic acid S-(2-methoxy-4,5-dimethylanilino) ester IUPAC Name: S-(2-methoxy-4,5-dimethylanilino) 4-(2-methoxyphenyl)piperazine-1-carbothioate Traditional Name: 4-(2-methoxyphenyl)piperazine-1-carbothioic acid S-(2-methoxy-4,5-dimethyl-anilino) ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=C(C=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H27N3O3S/c1-15-13-17(20(27-4)14-16(15)2)22-28-21(25)24-11-9-23(10-12-24)18-7-5-6-8-19(18)26-3/h5-8,13-14,22H,9-12H2,1-4H3