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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-16(17-6-4-3-5-7-17)23-12-14-24(15-13-23)21(27)22-19-10-8-18(9-11-19)20(25)26-2/h3-11,16H,12-15H2,1-2H3,(H,22,27)