3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-N-[(4-isothiocyanatophenyl)methyl]propan-1-amine

Systemtic Name: 3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-N-[(4-isothiocyanatophenyl)methyl]propan-1-amine Openeye Name: 3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-N-[(4-isothiocyanatophenyl)methyl]propan-1-amine CAS Name: 3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-N-[(4-isothiocyanatophenyl)methyl]-1-propanamine IUPAC Name: 3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-N-[(4-isothiocyanatophenyl)methyl]propan-1-amine Traditional Name: 3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propyl-(4-isothiocyanatobenzyl)amine Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(O1)C(=CC=C2)OCCCNCC3=CC=C(C=C3)N=C=S)C

Isomeric SMILES

CC1(OC2=C(O1)C(=CC=C2)OCCCNCC3=CC=C(C=C3)N=C=S)C

InChI

InChI=1S/C20H22N2O3S/c1-20(2)24-18-6-3-5-17(19(18)25-20)23-12-4-11-21-13-15-7-9-16(10-8-15)22-14-26/h3,5-10,21H,4,11-13H2,1-2H3