S-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino] 4-(diphenylmethyl)piperazine-1-carbothioate

Systemtic Name: S-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino] 4-(diphenylmethyl)piperazine-1-carbothioate Openeye Name: S-[[4-(4-methoxyphenyl)thiazol-2-yl]amino] 4-benzhydrylpiperazine-1-carbothioate CAS Name: 4-(diphenylmethyl)-1-piperazinecarbothioic acid S-[[4-(4-methoxyphenyl)-2-thiazolyl]amino] ester IUPAC Name: S-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino] 4-benzhydrylpiperazine-1-carbothioate Traditional Name: 4-benzhydrylpiperazine-1-carbothioic acid S-[[4-(4-methoxyphenyl)thiazol-2-yl]amino] ester Formula: C28H28N4O2S2 MolecularWeight: 516.67752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NSC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NSC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2S2/c1-34-24-14-12-21(13-15-24)25-20-35-27(29-25)30-36-28(33)32-18-16-31(17-19-32)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,20,26H,16-19H2,1H3,(H,29,30)