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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propionamide Formula: C23H22N4O3S2 MolecularWeight: 466.57578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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