methyl 2-[4-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]phenyl]acetate CAS Name: 2-[4-[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]phenyl]acetate Traditional Name: 2-[4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]phenyl]acetic acid methyl ester Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2S/c1-32-25(31)20-21-12-14-24(15-13-21)28-27(33)30-18-16-29(17-19-30)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26H,16-20H2,1H3,(H,28,33)