2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-N-naphthalen-2-yl-butanamide

Systemtic Name: 2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-N-naphthalen-2-yl-butanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-naphthyl)butanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(2-naphthalenyl)butanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-naphthalen-2-ylbutanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(2-naphthyl)butyramide Formula: C29H27N3O2S2 MolecularWeight: 513.67358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC2=CC=CC=C2C=C1)SC3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C29H27N3O2S2/c1-3-27(28(34)30-25-16-13-21-7-4-5-8-22(21)17-25)36-26-10-6-9-24(18-26)32-29(35)31-23-14-11-20(12-15-23)19(2)33/h4-18,27H,3H2,1-2H3,(H,30,34)(H2,31,32,35)