tert-butyl 5-[(carbamothioylamino)-methyl-amino]-2-phenyl-benzoate

Systemtic Name: tert-butyl 5-[(carbamothioylamino)-methyl-amino]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[(carbamothioylamino)-methyl-amino]-2-phenyl-benzoate CAS Name: 5-[(carbamothioylamino)-methylamino]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(carbamothioylamino)-methylamino]-2-phenylbenzoate Traditional Name: 5-[methyl(thioureido)amino]-2-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=C(C=CC(=C1)N(C)NC(=S)N)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1)N(C)NC(=S)N)C2=CC=CC=C2

InChI

InChI=1S/C19H23N3O2S/c1-19(2,3)24-17(23)16-12-14(22(4)21-18(20)25)10-11-15(16)13-8-6-5-7-9-13/h5-12H,1-4H3,(H3,20,21,25)