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

Systemtic Name: ethyl 3-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-[(4-methoxyphenyl)methyl]piperazine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(4-methoxyphenyl)methyl]piperazine-1-carbothioyl]amino]benzoate Traditional Name: 3-[(4-p-anisylpiperazine-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(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O3S/c1-3-28-21(26)18-5-4-6-19(15-18)23-22(29)25-13-11-24(12-14-25)16-17-7-9-20(27-2)10-8-17/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,29)