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

Systemtic Name: 2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C25H24N4O4S2 MolecularWeight: 508.61246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

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