2-[3-(4-methyl-2-oxidanylidene-quinolin-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[3-(4-methyl-2-oxidanylidene-quinolin-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(4-methyl-2-oxo-1-quinolyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(4-methyl-2-oxo-1-quinolinyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[3-(2-keto-4-methyl-1-quinolyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C2=CC=CC=C12)CCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

Isomeric SMILES

CC1=CC(=O)N(C2=CC=CC=C12)CCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

InChI

InChI=1S/C22H23N3O3S/c1-13-12-19(27)25(16-8-4-2-6-14(13)16)11-10-18(26)24-22-20(21(23)28)15-7-3-5-9-17(15)29-22/h2,4,6,8,12H,3,5,7,9-11H2,1H3,(H2,23,28)(H,24,26)