N-[4-[2-(3-methylquinoxalin-2-yl)sulfanylethanoyl]phenyl]butanamide

Systemtic Name: N-[4-[2-(3-methylquinoxalin-2-yl)sulfanylethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-(3-methylquinoxalin-2-yl)sulfanylacetyl]phenyl]butanamide CAS Name: N-[4-[2-[(3-methyl-2-quinoxalinyl)thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: N-[4-[2-(3-methylquinoxalin-2-yl)sulfanylacetyl]phenyl]butanamide Traditional Name: N-[4-[2-[(3-methylquinoxalin-2-yl)thio]acetyl]phenyl]butyramide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N=C2C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N=C2C

InChI

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