2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[3-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[3-[(4,8-dimethyl-2-quinolyl)thio]propanoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=C(C(=C(S3)C)C)C(=O)N

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=C(C(=C(S3)C)C)C(=O)N

InChI

InChI=1S/C21H23N3O2S2/c1-11-6-5-7-15-12(2)10-17(24-19(11)15)27-9-8-16(25)23-21-18(20(22)26)13(3)14(4)28-21/h5-7,10H,8-9H2,1-4H3,(H2,22,26)(H,23,25)