4,5-dimethyl-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-[3-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[3-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Traditional Name: 4,5-dimethyl-2-[3-[(4-methyl-2-quinolyl)thio]propanoylamino]thiophene-3-carboxamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S2/c1-11-10-17(22-15-7-5-4-6-14(11)15)26-9-8-16(24)23-20-18(19(21)25)12(2)13(3)27-20/h4-7,10H,8-9H2,1-3H3,(H2,21,25)(H,23,24)