S-[(3-methoxynaphthalen-2-yl)amino] 3-(3,4-dimethylphenyl)piperazine-1-carbothioate

Systemtic Name: S-[(3-methoxynaphthalen-2-yl)amino] 3-(3,4-dimethylphenyl)piperazine-1-carbothioate Openeye Name: S-[(3-methoxy-2-naphthyl)amino] 3-(3,4-dimethylphenyl)piperazine-1-carbothioate CAS Name: 3-(3,4-dimethylphenyl)-1-piperazinecarbothioic acid S-[(3-methoxy-2-naphthalenyl)amino] ester IUPAC Name: S-[(3-methoxynaphthalen-2-yl)amino] 3-(3,4-dimethylphenyl)piperazine-1-carbothioate Traditional Name: 3-(3,4-dimethylphenyl)piperazine-1-carbothioic acid S-[(3-methoxy-2-naphthyl)amino] ester Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2CN(CCN2)C(=O)SNC3=CC4=CC=CC=C4C=C3OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2CN(CCN2)C(=O)SNC3=CC4=CC=CC=C4C=C3OC)C

InChI

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