N-(4-acetamidophenyl)-2-quinolin-2-ylsulfanyl-butanamide

Systemtic Name: N-(4-acetamidophenyl)-2-quinolin-2-ylsulfanyl-butanamide Openeye Name: N-(4-acetamidophenyl)-2-(2-quinolylsulfanyl)butanamide CAS Name: N-(4-acetamidophenyl)-2-(2-quinolinylthio)butanamide IUPAC Name: N-(4-acetamidophenyl)-2-quinolin-2-ylsulfanylbutanamide Traditional Name: N-(4-acetamidophenyl)-2-(2-quinolylthio)butyramide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H21N3O2S/c1-3-19(27-20-13-8-15-6-4-5-7-18(15)24-20)21(26)23-17-11-9-16(10-12-17)22-14(2)25/h4-13,19H,3H2,1-2H3,(H,22,25)(H,23,26)