methyl 4,5-dimethoxy-2-[(4-phenylpiperazin-1-yl)carbothioylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[(4-phenylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[(4-phenylpiperazine-1-carbothioyl)amino]benzoate CAS Name: 4,5-dimethoxy-2-[[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[(4-phenylpiperazine-1-carbothioyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[(4-phenylpiperazine-1-carbothioyl)amino]benzoic acid methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H25N3O4S/c1-26-18-13-16(20(25)28-3)17(14-19(18)27-2)22-21(29)24-11-9-23(10-12-24)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,22,29)