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

Systemtic Name: N-(4-nitrophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(4-nitrophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: N-(4-nitrophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(4-nitrophenyl)-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3S2/c26-20(22-16-6-10-18(11-7-16)25(27)28)14-30-19-12-8-17(9-13-19)24-21(29)23-15-4-2-1-3-5-15/h1-13H,14H2,(H,22,26)(H2,23,24,29)