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

Systemtic Name: N-(4-phenoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(4-phenoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-phenoxyphenyl)butanamide IUPAC Name: N-(4-phenoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-(4-phenoxyphenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C29H27N3O2S2 MolecularWeight: 513.67358

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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(=S)NC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C29H27N3O2S2/c1-2-27(28(33)30-22-16-18-25(19-17-22)34-24-13-7-4-8-14-24)36-26-15-9-12-23(20-26)32-29(35)31-21-10-5-3-6-11-21/h3-20,27H,2H2,1H3,(H,30,33)(H2,31,32,35)