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

Systemtic Name: methyl 4-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]benzoate CAS Name: 4-[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]benzoate Traditional Name: 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]benzoic acid methyl ester Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S/c1-31-25(30)22-12-14-23(15-13-22)27-26(32)29-18-16-28(17-19-29)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,24H,16-19H2,1H3,(H,27,32)