S-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] N-propan-2-yl-N-(2,4,6-trimethylphenyl)carbamothioate

Systemtic Name: S-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] N-propan-2-yl-N-(2,4,6-trimethylphenyl)carbamothioate Openeye Name: S-[2-(2-nitroanilino)-2-oxo-ethyl] N-isopropyl-N-(2,4,6-trimethylphenyl)carbamothioate CAS Name: N-propan-2-yl-N-(2,4,6-trimethylphenyl)carbamothioic acid S-[2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: S-[2-(2-nitroanilino)-2-oxoethyl] N-propan-2-yl-N-(2,4,6-trimethylphenyl)carbamothioate Traditional Name: N-isopropyl-N-mesityl-thiocarbamic acid S-[2-keto-2-(2-nitroanilino)ethyl] ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N(C(C)C)C(=O)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N(C(C)C)C(=O)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O4S/c1-13(2)23(20-15(4)10-14(3)11-16(20)5)21(26)29-12-19(25)22-17-8-6-7-9-18(17)24(27)28/h6-11,13H,12H2,1-5H3,(H,22,25)