N-(4-nitrophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(4-nitrophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(4-nitrophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-nitrophenyl)butanamide IUPAC Name: N-(4-nitrophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-(4-nitrophenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C23H22N4O3S2 MolecularWeight: 466.57578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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