N-(2-methyl-5-nitro-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]propionamide Formula: C24H24N4O3S2 MolecularWeight: 480.60236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

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