methyl 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(2-ethoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[(4-o-phenetylpiperazine-1-carbothioyl)amino]benzoic acid methyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H25N3O3S/c1-3-27-19-7-5-4-6-18(19)23-12-14-24(15-13-23)21(28)22-17-10-8-16(9-11-17)20(25)26-2/h4-11H,3,12-15H2,1-2H3,(H,22,28)