2-azanyl-4-(3,4-dimethylphenyl)sulfanyl-N-phenyl-butanamide

Systemtic Name: 2-azanyl-4-(3,4-dimethylphenyl)sulfanyl-N-phenyl-butanamide Openeye Name: 2-amino-4-(3,4-dimethylphenyl)sulfanyl-N-phenyl-butanamide CAS Name: 2-amino-4-[(3,4-dimethylphenyl)thio]-N-phenylbutanamide IUPAC Name: 2-amino-4-(3,4-dimethylphenyl)sulfanyl-N-phenylbutanamide Traditional Name: 2-amino-4-[(3,4-dimethylphenyl)thio]-N-phenyl-butyramide Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(C(=O)NC2=CC=CC=C2)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(C(=O)NC2=CC=CC=C2)N)C

InChI

InChI=1S/C18H22N2OS/c1-13-8-9-16(12-14(13)2)22-11-10-17(19)18(21)20-15-6-4-3-5-7-15/h3-9,12,17H,10-11,19H2,1-2H3,(H,20,21)