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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(C)CC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(C)CC(=O)OC(C)(C)C

InChI

InChI=1S/C18H28N2O2S/c1-6-7-8-14-9-11-15(12-10-14)19-17(23)20(5)13-16(21)22-18(2,3)4/h9-12H,6-8,13H2,1-5H3,(H,19,23)