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

Systemtic Name: N-(2-ethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(2-ethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(2-ethoxyphenyl)butanamide IUPAC Name: N-(2-ethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-o-phenetyl-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C25H27N3O2S2 MolecularWeight: 465.63078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O2S2/c1-3-23(24(29)28-21-15-8-9-16-22(21)30-4-2)32-20-14-10-13-19(17-20)27-25(31)26-18-11-6-5-7-12-18/h5-17,23H,3-4H2,1-2H3,(H,28,29)(H2,26,27,31)