ethyl 2-[1-(dipyridin-2-ylmethyl)-4-[2-(1H-indol-2-ylcarbonylamino)propanoyl]piperazin-2-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: ethyl 2-[1-(dipyridin-2-ylmethyl)-4-[2-(1H-indol-2-ylcarbonylamino)propanoyl]piperazin-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-[1-[bis(2-pyridyl)methyl]-4-[2-(1H-indole-2-carbonylamino)propanoyl]piperazin-2-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[1-[bis(2-pyridinyl)methyl]-4-[2-[[1H-indol-2-yl(oxo)methyl]amino]-1-oxopropyl]-2-piperazinyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(dipyridin-2-ylmethyl)-4-[2-(1H-indole-2-carbonylamino)propanoyl]piperazin-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[1-[bis(2-pyridyl)methyl]-4-[2-(1H-indole-2-carbonylamino)propanoyl]piperazin-2-yl]thio]nicotinic acid ethyl ester Formula: C35H35N7O4S MolecularWeight: 649.7619

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)SC2CN(CCN2C(C3=CC=CC=N3)C4=CC=CC=N4)C(=O)C(C)NC(=O)C5=CC6=CC=CC=C6N5

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)SC2CN(CCN2C(C3=CC=CC=N3)C4=CC=CC=N4)C(=O)C(C)NC(=O)C5=CC6=CC=CC=C6N5

InChI

InChI=1S/C35H35N7O4S/c1-3-46-35(45)25-12-10-18-38-33(25)47-30-22-41(34(44)23(2)39-32(43)29-21-24-11-4-5-13-26(24)40-29)19-20-42(30)31(27-14-6-8-16-36-27)28-15-7-9-17-37-28/h4-18,21,23,30-31,40H,3,19-20,22H2,1-2H3,(H,39,43)