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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(2-methyl-4-nitrophenyl)butanamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C24H24N4O3S2 MolecularWeight: 480.60236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O3S2/c1-3-22(23(29)27-21-13-12-19(28(30)31)14-16(21)2)33-20-11-7-10-18(15-20)26-24(32)25-17-8-5-4-6-9-17/h4-15,22H,3H2,1-2H3,(H,27,29)(H2,25,26,32)