N-(4-phenoxyphenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(4-phenoxyphenyl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(4-phenoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]-N-(4-phenoxyphenyl)butanamide IUPAC Name: N-(4-phenoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide Traditional Name: N-(4-phenoxyphenyl)-2-[[3-[(2-phenylacetyl)amino]phenyl]thio]butyramide Formula: C30H28N2O3S MolecularWeight: 496.61992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C30H28N2O3S/c1-2-28(30(34)32-23-16-18-26(19-17-23)35-25-13-7-4-8-14-25)36-27-15-9-12-24(21-27)31-29(33)20-22-10-5-3-6-11-22/h3-19,21,28H,2,20H2,1H3,(H,31,33)(H,32,34)