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

Systemtic Name: ethyl 2-[3-(1H-indol-2-ylcarbonylamino)-4-propanoyl-1-propan-2-yl-piperazin-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-[3-(1H-indole-2-carbonylamino)-1-isopropyl-4-propanoyl-piperazin-2-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[3-[[1H-indol-2-yl(oxo)methyl]amino]-4-(1-oxopropyl)-1-propan-2-yl-2-piperazinyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1H-indole-2-carbonylamino)-4-propanoyl-1-propan-2-ylpiperazin-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[3-(1H-indole-2-carbonylamino)-1-isopropyl-4-propionyl-piperazin-2-yl]thio]nicotinic acid ethyl ester Formula: C27H33N5O4S MolecularWeight: 523.64702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1NC(=O)C2=CC3=CC=CC=C3N2)SC4=C(C=CC=N4)C(=O)OCC)C(C)C

Isomeric SMILES

CCC(=O)N1CCN(C(C1NC(=O)C2=CC3=CC=CC=C3N2)SC4=C(C=CC=N4)C(=O)OCC)C(C)C

InChI

InChI=1S/C27H33N5O4S/c1-5-22(33)32-15-14-31(17(3)4)26(37-25-19(11-9-13-28-25)27(35)36-6-2)23(32)30-24(34)21-16-18-10-7-8-12-20(18)29-21/h7-13,16-17,23,26,29H,5-6,14-15H2,1-4H3,(H,30,34)