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

Systemtic Name: 2-[2-(3,6-dimethylquinolin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[(3,6-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(3,6-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(3,6-dimethylquinolin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(3,6-dimethyl-2-quinolyl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C

InChI

InChI=1S/C22H23N3O2S2/c1-12-7-8-16-14(9-12)10-13(2)21(24-16)28-11-18(26)25-22-19(20(23)27)15-5-3-4-6-17(15)29-22/h7-10H,3-6,11H2,1-2H3,(H2,23,27)(H,25,26)