tert-butyl N-[3-[[3-methoxypropylcarbamothioyl(methyl)amino]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[[3-methoxypropylcarbamothioyl(methyl)amino]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[[3-methoxypropylcarbamothioyl(methyl)amino]carbamoyl]phenyl]carbamate CAS Name: N-[3-[[2-[(3-methoxypropylamino)-sulfanylidenemethyl]-2-methylhydrazinyl]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[3-methoxypropylcarbamothioyl(methyl)amino]carbamoyl]phenyl]carbamate Traditional Name: N-[3-[[3-methoxypropylthiocarbamoyl(methyl)amino]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NN(C)C(=S)NCCCOC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NN(C)C(=S)NCCCOC

InChI

InChI=1S/C18H28N4O4S/c1-18(2,3)26-17(24)20-14-9-6-8-13(12-14)15(23)21-22(4)16(27)19-10-7-11-25-5/h6,8-9,12H,7,10-11H2,1-5H3,(H,19,27)(H,20,24)(H,21,23)