S-[2-[[4-(4-nitrophenyl)phenyl]amino]-2-oxidanylidene-ethyl] carbamothioate

Systemtic Name: S-[2-[[4-(4-nitrophenyl)phenyl]amino]-2-oxidanylidene-ethyl] carbamothioate Openeye Name: S-[2-[4-(4-nitrophenyl)anilino]-2-oxo-ethyl] carbamothioate CAS Name: carbamothioic acid S-[2-[4-(4-nitrophenyl)anilino]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(4-nitrophenyl)anilino]-2-oxoethyl] carbamothioate Traditional Name: thiocarbamic acid S-[2-keto-2-[4-(4-nitrophenyl)anilino]ethyl] ester Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CSC(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CSC(=O)N

InChI

InChI=1S/C15H13N3O4S/c16-15(20)23-9-14(19)17-12-5-1-10(2-6-12)11-3-7-13(8-4-11)18(21)22/h1-8H,9H2,(H2,16,20)(H,17,19)