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

Systemtic Name: S-[(2-methoxy-4,5-dimethyl-phenyl)amino] 4-naphthalen-1-ylpiperazine-1-carbothioate Openeye Name: S-(2-methoxy-4,5-dimethyl-anilino) 4-(1-naphthyl)piperazine-1-carbothioate CAS Name: 4-(1-naphthalenyl)-1-piperazinecarbothioic acid S-(2-methoxy-4,5-dimethylanilino) ester IUPAC Name: S-(2-methoxy-4,5-dimethylanilino) 4-naphthalen-1-ylpiperazine-1-carbothioate Traditional Name: 4-(1-naphthyl)piperazine-1-carbothioic acid S-(2-methoxy-4,5-dimethyl-anilino) ester Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(C=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H27N3O2S/c1-17-15-21(23(29-3)16-18(17)2)25-30-24(28)27-13-11-26(12-14-27)22-10-6-8-19-7-4-5-9-20(19)22/h4-10,15-16,25H,11-14H2,1-3H3