tert-butyl N-[3-[(3,5-dimethylphenyl)carbamothioylamino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(3,5-dimethylphenyl)carbamothioylamino]propyl]carbamate Openeye Name: tert-butyl N-[3-[(3,5-dimethylphenyl)carbamothioylamino]propyl]carbamate CAS Name: N-[3-[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(3,5-dimethylphenyl)carbamothioylamino]propyl]carbamate Traditional Name: N-[3-[(3,5-dimethylphenyl)thiocarbamoylamino]propyl]carbamic acid tert-butyl ester Formula: C17H27N3O2S MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NCCCNC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NCCCNC(=O)OC(C)(C)C)C

InChI

InChI=1S/C17H27N3O2S/c1-12-9-13(2)11-14(10-12)20-15(23)18-7-6-8-19-16(21)22-17(3,4)5/h9-11H,6-8H2,1-5H3,(H,19,21)(H2,18,20,23)