tert-butyl 2-[(4-tert-butylphenyl)carbamothioyl-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[(4-tert-butylphenyl)carbamothioyl-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[(4-tert-butylphenyl)carbamothioyl-methyl-amino]acetate CAS Name: 2-[[(4-tert-butylanilino)-sulfanylidenemethyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-tert-butylphenyl)carbamothioyl-methylamino]acetate Traditional Name: 2-[(4-tert-butylphenyl)thiocarbamoyl-methyl-amino]acetic acid tert-butyl ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2S/c1-17(2,3)13-8-10-14(11-9-13)19-16(23)20(7)12-15(21)22-18(4,5)6/h8-11H,12H2,1-7H3,(H,19,23)