2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-N-naphthalen-1-yl-propanamide

Systemtic Name: 2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-N-naphthalen-1-yl-propanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(1-naphthyl)propanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(1-naphthalenyl)propanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-naphthalen-1-ylpropanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(1-naphthyl)propionamide Formula: C28H25N3O2S2 MolecularWeight: 499.647

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C28H25N3O2S2/c1-18(32)20-13-15-22(16-14-20)29-28(34)30-23-9-6-10-24(17-23)35-19(2)27(33)31-26-12-5-8-21-7-3-4-11-25(21)26/h3-17,19H,1-2H3,(H,31,33)(H2,29,30,34)