ethyl 4-[2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[4-(cyclopropylcarbamoyl)-2-quinolyl]sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[4-[(cyclopropylamino)-oxomethyl]-2-quinolinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-(cyclopropylcarbamoyl)-2-quinolyl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C22H26N4O4S/c1-2-30-22(29)26-11-9-25(10-12-26)20(27)14-31-19-13-17(21(28)23-15-7-8-15)16-5-3-4-6-18(16)24-19/h3-6,13,15H,2,7-12,14H2,1H3,(H,23,28)