N-(4-bromophenyl)-2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(4-bromophenyl)-2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(4-bromophenyl)-2-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(4-bromophenyl)-2-[(8-methoxy-4-methyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(4-bromophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(4-bromophenyl)-2-[(8-methoxy-4-methyl-2-quinolyl)thio]butyramide Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC3=C(C=CC=C3OC)C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC3=C(C=CC=C3OC)C(=C2)C

InChI

InChI=1S/C21H21BrN2O2S/c1-4-18(21(25)23-15-10-8-14(22)9-11-15)27-19-12-13(2)16-6-5-7-17(26-3)20(16)24-19/h5-12,18H,4H2,1-3H3,(H,23,25)