tert-butyl 2-[4-[(azanylcarbamothioylamino)methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[(azanylcarbamothioylamino)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(aminocarbamothioylamino)methyl]phenyl]benzoate CAS Name: 2-[4-[[[hydrazinyl(sulfanylidene)methyl]amino]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(aminocarbamothioylamino)methyl]phenyl]benzoate Traditional Name: 2-[4-[(aminothiocarbamoylamino)methyl]phenyl]benzoic acid tert-butyl ester Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CNC(=S)NN

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CNC(=S)NN

InChI

InChI=1S/C19H23N3O2S/c1-19(2,3)24-17(23)16-7-5-4-6-15(16)14-10-8-13(9-11-14)12-21-18(25)22-20/h4-11H,12,20H2,1-3H3,(H2,21,22,25)