2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methyl-5-nitro-phenyl)butanamide

Systemtic Name: 2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methyl-5-nitro-phenyl)butanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methyl-5-nitro-phenyl)butanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(2-methyl-5-nitrophenyl)butanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methyl-5-nitrophenyl)butanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(2-methyl-5-nitro-phenyl)butyramide Formula: C26H26N4O4S2 MolecularWeight: 522.63904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O4S2/c1-4-24(25(32)29-23-15-21(30(33)34)13-8-16(23)2)36-22-7-5-6-20(14-22)28-26(35)27-19-11-9-18(10-12-19)17(3)31/h5-15,24H,4H2,1-3H3,(H,29,32)(H2,27,28,35)