[4-[(Z)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(Z)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(Z)-(isopropylcarbamothioylhydrazono)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(Z)-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(Z)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(Z)-(isopropylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C18H18N4O4S MolecularWeight: 386.42492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NN=CC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=S)N/N=C\C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c1-12(2)20-18(27)21-19-11-13-6-8-16(9-7-13)26-17(23)14-4-3-5-15(10-14)22(24)25/h3-12H,1-2H3,(H2,20,21,27)/b19-11-