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

Systemtic Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-nitrophenyl)propanamide Openeye Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-nitrophenyl)propanamide CAS Name: 2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-nitrophenyl)propanamide Traditional Name: 2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]-N-(4-nitrophenyl)propionamide Formula: C23H22N4O4S2 MolecularWeight: 482.57518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C23H22N4O4S2/c1-15(22(28)24-16-10-12-18(13-11-16)27(29)30)33-19-7-5-6-17(14-19)25-23(32)26-20-8-3-4-9-21(20)31-2/h3-15H,1-2H3,(H,24,28)(H2,25,26,32)