tert-butyl N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)propyl]carbamate

Systemtic Name: tert-butyl N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)propyl]carbamate Openeye Name: tert-butyl N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)propyl]carbamate CAS Name: N-[3-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)propyl]carbamate Traditional Name: N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)propyl]carbamic acid tert-butyl ester Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCNC(=S)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNC(=S)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H25N3O4S/c1-17(2,3)24-16(21)19-8-4-7-18-15(25)20-12-5-6-13-14(11-12)23-10-9-22-13/h5-6,11H,4,7-10H2,1-3H3,(H,19,21)(H2,18,20,25)