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

Systemtic Name: N-(4-ethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(4-ethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-ethoxyphenyl)butanamide IUPAC Name: N-(4-ethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: 2-[[3-(phenylthiocarbamoylamino)phenyl]thio]-N-p-phenetyl-butyramide Formula: C25H27N3O2S2 MolecularWeight: 465.63078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OCC)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OCC)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

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