ethyl 2-[2-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-4-(diphenylmethyl)-1-propanethioyl-piperidin-3-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[2-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-4-(diphenylmethyl)-1-propanethioyl-piperidin-3-yl]pyridine-3-carboxylate Openeye Name: ethyl 2-[4-benzhydryl-2-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propanethioyl-3-piperidyl]pyridine-3-carboxylate CAS Name: 2-[2-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-4-(diphenylmethyl)-1-(1-sulfanylidenepropyl)-3-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-benzhydryl-2-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propanethioylpiperidin-3-yl]pyridine-3-carboxylate Traditional Name: 2-[4-benzhydryl-2-[(5-chloro-1H-indole-2-carbonyl)amino]-1-propanethioyl-3-piperidyl]nicotinic acid ethyl ester Formula: C38H37ClN4O3S MolecularWeight: 665.24338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)N1CCC(C(C1NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)C4=C(C=CC=N4)C(=O)OCC)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCC(=S)N1CCC(C(C1NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)C4=C(C=CC=N4)C(=O)OCC)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C38H37ClN4O3S/c1-3-32(47)43-21-19-28(33(24-12-7-5-8-13-24)25-14-9-6-10-15-25)34(35-29(16-11-20-40-35)38(45)46-4-2)36(43)42-37(44)31-23-26-22-27(39)17-18-30(26)41-31/h5-18,20,22-23,28,33-34,36,41H,3-4,19,21H2,1-2H3,(H,42,44)