methyl 4-[[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(4-phenylthiazol-2-yl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(4-phenyl-2-thiazolyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(4-phenylthiazol-2-yl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S2/c1-28-20(27)17-7-9-18(10-8-17)23-21(29)25-11-13-26(14-12-25)22-24-19(15-30-22)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,23,29)