6-(2-acetamidoethylsulfanyl)-4-[(3-methoxyphenyl)amino]quinoline-3-carboxamide

Systemtic Name: 6-(2-acetamidoethylsulfanyl)-4-[(3-methoxyphenyl)amino]quinoline-3-carboxamide Openeye Name: 6-(2-acetamidoethylsulfanyl)-4-(3-methoxyanilino)quinoline-3-carboxamide CAS Name: 6-(2-acetamidoethylthio)-4-(3-methoxyanilino)-3-quinolinecarboxamide IUPAC Name: 6-(2-acetamidoethylsulfanyl)-4-(3-methoxyanilino)quinoline-3-carboxamide Traditional Name: 6-(2-acetamidoethylthio)-4-(m-anisidino)quinoline-3-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=CC2=C(C(=CN=C2C=C1)C(=O)N)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC(=O)NCCSC1=CC2=C(C(=CN=C2C=C1)C(=O)N)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H22N4O3S/c1-13(26)23-8-9-29-16-6-7-19-17(11-16)20(18(12-24-19)21(22)27)25-14-4-3-5-15(10-14)28-2/h3-7,10-12H,8-9H2,1-2H3,(H2,22,27)(H,23,26)(H,24,25)