N-[3-(4-acetamidophenyl)sulfanylphenyl]-2-azanyl-butanamide

Systemtic Name: N-[3-(4-acetamidophenyl)sulfanylphenyl]-2-azanyl-butanamide Openeye Name: N-[3-(4-acetamidophenyl)sulfanylphenyl]-2-amino-butanamide CAS Name: N-[3-[(4-acetamidophenyl)thio]phenyl]-2-aminobutanamide IUPAC Name: N-[3-(4-acetamidophenyl)sulfanylphenyl]-2-aminobutanamide Traditional Name: N-[3-[(4-acetamidophenyl)thio]phenyl]-2-amino-butyramide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S/c1-3-17(19)18(23)21-14-5-4-6-16(11-14)24-15-9-7-13(8-10-15)20-12(2)22/h4-11,17H,3,19H2,1-2H3,(H,20,22)(H,21,23)