ethyl 3-[[4-(4-methoxyphenyl)-3-methyl-piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-(4-methoxyphenyl)-3-methyl-piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-(4-methoxyphenyl)-3-methyl-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(C(C2)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(C(C2)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O3S/c1-4-28-21(26)17-6-5-7-18(14-17)23-22(29)24-12-13-25(16(2)15-24)19-8-10-20(27-3)11-9-19/h5-11,14,16H,4,12-13,15H2,1-3H3,(H,23,29)