methyl 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(2,5-dimethylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H25N3O2S/c1-15-4-5-16(2)19(14-15)23-10-12-24(13-11-23)21(27)22-18-8-6-17(7-9-18)20(25)26-3/h4-9,14H,10-13H2,1-3H3,(H,22,27)