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

Systemtic Name: 2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[3-[(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)SCCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S2/c1-13-12-19(24-16-8-4-2-6-14(13)16)28-11-10-18(26)25-22-20(21(23)27)15-7-3-5-9-17(15)29-22/h2,4,6,8,12H,3,5,7,9-11H2,1H3,(H2,23,27)(H,25,26)