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

Systemtic Name: methyl 4-[[4-(4-methoxyphenyl)-3-methyl-piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(4-methoxyphenyl)-3-methyl-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NC3=CC=C(C=C3)C(=O)OC

InChI

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