S-methyl 1-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]-4-phenyl-piperazine-2-carbothioate

Systemtic Name: S-methyl 1-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]-4-phenyl-piperazine-2-carbothioate Openeye Name: S-methyl 1-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]-4-phenyl-piperazine-2-carbothioate CAS Name: 1-[(2-methoxy-4,5-dimethyl-1-cyclohexa-2,4-dienyl)amino]-4-phenyl-2-piperazinecarbothioic acid S-methyl ester IUPAC Name: S-methyl 1-[(2-methoxy-4,5-dimethylcyclohexa-2,4-dien-1-yl)amino]-4-phenylpiperazine-2-carbothioate Traditional Name: 1-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]-4-phenyl-piperazine-2-carbothioic acid S-methyl ester Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(C1)NN2CCN(CC2C(=O)SC)C3=CC=CC=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C(C1)NN2CCN(CC2C(=O)SC)C3=CC=CC=C3)OC)C

InChI

InChI=1S/C21H29N3O2S/c1-15-12-18(20(26-3)13-16(15)2)22-24-11-10-23(14-19(24)21(25)27-4)17-8-6-5-7-9-17/h5-9,13,18-19,22H,10-12,14H2,1-4H3