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

Systemtic Name: ethyl 2-[1-(dicyclohexylmethyl)-4-[2-(1H-indol-2-ylcarbonylamino)propanoyl]piperazin-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-[1-(dicyclohexylmethyl)-4-[2-(1H-indole-2-carbonylamino)propanoyl]piperazin-2-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[1-(dicyclohexylmethyl)-4-[2-[[1H-indol-2-yl(oxo)methyl]amino]-1-oxopropyl]-2-piperazinyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(dicyclohexylmethyl)-4-[2-(1H-indole-2-carbonylamino)propanoyl]piperazin-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[1-(dicyclohexylmethyl)-4-[2-(1H-indole-2-carbonylamino)propanoyl]piperazin-2-yl]thio]nicotinic acid ethyl ester Formula: C37H49N5O4S MolecularWeight: 659.88106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)SC2CN(CCN2C(C3CCCCC3)C4CCCCC4)C(=O)C(C)NC(=O)C5=CC6=CC=CC=C6N5

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)SC2CN(CCN2C(C3CCCCC3)C4CCCCC4)C(=O)C(C)NC(=O)C5=CC6=CC=CC=C6N5

InChI

InChI=1S/C37H49N5O4S/c1-3-46-37(45)29-18-12-20-38-35(29)47-32-24-41(36(44)25(2)39-34(43)31-23-28-17-10-11-19-30(28)40-31)21-22-42(32)33(26-13-6-4-7-14-26)27-15-8-5-9-16-27/h10-12,17-20,23,25-27,32-33,40H,3-9,13-16,21-22,24H2,1-2H3,(H,39,43)