N-(4-nitrophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(4-nitrophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(4-nitrophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-nitrophenyl)propanamide IUPAC Name: N-(4-nitrophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide Traditional Name: N-(4-nitrophenyl)-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propionamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S2/c1-15(21(27)23-17-7-11-19(12-8-17)26(28)29)31-20-13-9-18(10-14-20)25-22(30)24-16-5-3-2-4-6-16/h2-15H,1H3,(H,23,27)(H2,24,25,30)