2-[2-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[2-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[2-[(4-methyl-2-quinolyl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

InChI

InChI=1S/C22H23N3O2S2/c1-12-11-18(24-16-9-5-3-7-14(12)16)28-13(2)21(27)25-22-19(20(23)26)15-8-4-6-10-17(15)29-22/h3,5,7,9,11,13H,4,6,8,10H2,1-2H3,(H2,23,26)(H,25,27)