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

Systemtic Name: 2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-nitrophenyl)butanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-nitrophenyl)butanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-nitrophenyl)butanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-nitrophenyl)butanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(4-nitrophenyl)butyramide Formula: C25H24N4O4S2 MolecularWeight: 508.61246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C25H24N4O4S2/c1-3-23(24(31)26-18-11-13-21(14-12-18)29(32)33)35-22-6-4-5-20(15-22)28-25(34)27-19-9-7-17(8-10-19)16(2)30/h4-15,23H,3H2,1-2H3,(H,26,31)(H2,27,28,34)