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

Systemtic Name: methyl 3-[1-(diphenylmethyl)-3-(1H-indol-2-ylcarbonylamino)-4-propanethioyl-piperazin-2-yl]pyrazine-2-carboxylate Openeye Name: methyl 3-[1-benzhydryl-3-(1H-indole-2-carbonylamino)-4-propanethioyl-piperazin-2-yl]pyrazine-2-carboxylate CAS Name: 3-[1-(diphenylmethyl)-3-[[1H-indol-2-yl(oxo)methyl]amino]-4-(1-sulfanylidenepropyl)-2-piperazinyl]-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 3-[1-benzhydryl-3-(1H-indole-2-carbonylamino)-4-propanethioylpiperazin-2-yl]pyrazine-2-carboxylate Traditional Name: 3-[1-benzhydryl-3-(1H-indole-2-carbonylamino)-4-propanethioyl-piperazin-2-yl]pyrazinic acid methyl ester Formula: C35H34N6O3S MolecularWeight: 618.74786

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C35H34N6O3S/c1-3-28(45)40-20-21-41(31(23-12-6-4-7-13-23)24-14-8-5-9-15-24)32(29-30(35(43)44-2)37-19-18-36-29)33(40)39-34(42)27-22-25-16-10-11-17-26(25)38-27/h4-19,22,31-33,38H,3,20-21H2,1-2H3,(H,39,42)