O-[4-[(3-nitrophenyl)carbamoyl]phenyl] N-(3,4-dimethylphenyl)carbamothioate

Systemtic Name: O-[4-[(3-nitrophenyl)carbamoyl]phenyl] N-(3,4-dimethylphenyl)carbamothioate Openeye Name: O-[4-[(3-nitrophenyl)carbamoyl]phenyl] N-(3,4-dimethylphenyl)carbamothioate CAS Name: N-(3,4-dimethylphenyl)carbamothioic acid O-[4-[(3-nitroanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[4-[(3-nitrophenyl)carbamoyl]phenyl] N-(3,4-dimethylphenyl)carbamothioate Traditional Name: N-(3,4-dimethylphenyl)thiocarbamic acid O-[4-[(3-nitrophenyl)carbamoyl]phenyl] ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)OC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)OC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H19N3O4S/c1-14-6-9-18(12-15(14)2)24-22(30)29-20-10-7-16(8-11-20)21(26)23-17-4-3-5-19(13-17)25(27)28/h3-13H,1-2H3,(H,23,26)(H,24,30)