S-methyl 4-[4-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]piperazin-1-yl]benzenecarbothioate

Systemtic Name: S-methyl 4-[4-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]piperazin-1-yl]benzenecarbothioate Openeye Name: S-methyl 4-[4-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]piperazin-1-yl]benzenecarbothioate CAS Name: 4-[4-[(2-methoxy-4,5-dimethyl-1-cyclohexa-2,4-dienyl)amino]-1-piperazinyl]benzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 4-[4-[(2-methoxy-4,5-dimethylcyclohexa-2,4-dien-1-yl)amino]piperazin-1-yl]benzenecarbothioate Traditional Name: 4-[4-[(2-methoxy-4,5-dimethyl-cyclohexa-2,4-dien-1-yl)amino]piperazino]thiobenzoic 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(CC2)C3=CC=C(C=C3)C(=O)SC)OC)C

Isomeric SMILES

CC1=C(C=C(C(C1)NN2CCN(CC2)C3=CC=C(C=C3)C(=O)SC)OC)C

InChI

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