methyl 2-[1-(diphenylmethyl)-3-(1H-indol-2-ylcarbonylamino)-4-propanethioyl-piperazin-2-yl]benzoate

Systemtic Name: methyl 2-[1-(diphenylmethyl)-3-(1H-indol-2-ylcarbonylamino)-4-propanethioyl-piperazin-2-yl]benzoate Openeye Name: methyl 2-[1-benzhydryl-3-(1H-indole-2-carbonylamino)-4-propanethioyl-piperazin-2-yl]benzoate CAS Name: 2-[1-(diphenylmethyl)-3-[[1H-indol-2-yl(oxo)methyl]amino]-4-(1-sulfanylidenepropyl)-2-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[1-benzhydryl-3-(1H-indole-2-carbonylamino)-4-propanethioylpiperazin-2-yl]benzoate Traditional Name: 2-[1-benzhydryl-3-(1H-indole-2-carbonylamino)-4-propanethioyl-piperazin-2-yl]benzoic acid methyl ester Formula: C37H36N4O3S MolecularWeight: 616.77174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)N1CCN(C(C1NC(=O)C2=CC3=CC=CC=C3N2)C4=CC=CC=C4C(=O)OC)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCC(=S)N1CCN(C(C1NC(=O)C2=CC3=CC=CC=C3N2)C4=CC=CC=C4C(=O)OC)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C37H36N4O3S/c1-3-32(45)40-22-23-41(33(25-14-6-4-7-15-25)26-16-8-5-9-17-26)34(28-19-11-12-20-29(28)37(43)44-2)35(40)39-36(42)31-24-27-18-10-13-21-30(27)38-31/h4-21,24,33-35,38H,3,22-23H2,1-2H3,(H,39,42)