2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-nitrophenyl)propanamide

Systemtic Name: 2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-nitrophenyl)propanamide Openeye Name: N-(4-nitrophenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-nitrophenyl)propanamide Traditional Name: N-(4-nitrophenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]propionamide Formula: C23H22N4O3S2 MolecularWeight: 466.57578

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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=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3S2/c1-15-6-8-18(9-7-15)25-23(31)26-19-4-3-5-21(14-19)32-16(2)22(28)24-17-10-12-20(13-11-17)27(29)30/h3-14,16H,1-2H3,(H,24,28)(H2,25,26,31)