N-(4-acetamidophenyl)-2-[3-(butanoylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[3-(butanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(4-acetamidophenyl)-2-[3-(butanoylamino)phenyl]sulfanyl-butanamide CAS Name: N-(4-acetamidophenyl)-2-[[3-(1-oxobutylamino)phenyl]thio]butanamide IUPAC Name: N-(4-acetamidophenyl)-2-[3-(butanoylamino)phenyl]sulfanylbutanamide Traditional Name: N-(4-acetamidophenyl)-2-[(3-butyramidophenyl)thio]butyramide Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C22H27N3O3S/c1-4-7-21(27)24-18-8-6-9-19(14-18)29-20(5-2)22(28)25-17-12-10-16(11-13-17)23-15(3)26/h6,8-14,20H,4-5,7H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)