methyl 4-[[4-[1H-indol-3-yl(piperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-[1H-indol-3-yl(piperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[4-[1H-indol-3-yl(1-piperidyl)methyl]thiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[4-[1H-indol-3-yl(1-piperidinyl)methyl]-2-thiazolyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[4-[1H-indol-3-yl(piperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[4-[1H-indol-3-yl(piperidino)methyl]thiazol-2-yl]amino]-4-keto-butyric acid methyl ester Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1=NC(=CS1)C(C2=CNC3=CC=CC=C32)N4CCCCC4

Isomeric SMILES

COC(=O)CCC(=O)NC1=NC(=CS1)C(C2=CNC3=CC=CC=C32)N4CCCCC4

InChI

InChI=1S/C22H26N4O3S/c1-29-20(28)10-9-19(27)25-22-24-18(14-30-22)21(26-11-5-2-6-12-26)16-13-23-17-8-4-3-7-15(16)17/h3-4,7-8,13-14,21,23H,2,5-6,9-12H2,1H3,(H,24,25,27)