1-(1,6-diisothiocyanatobenzimidazol-2-yl)-3-(4-ethoxyphenyl)-N,N-diethyl-propan-1-amine

Systemtic Name: 1-(1,6-diisothiocyanatobenzimidazol-2-yl)-3-(4-ethoxyphenyl)-N,N-diethyl-propan-1-amine Openeye Name: 1-(1,6-diisothiocyanatobenzimidazol-2-yl)-3-(4-ethoxyphenyl)-N,N-diethyl-propan-1-amine CAS Name: 1-(1,6-diisothiocyanato-2-benzimidazolyl)-3-(4-ethoxyphenyl)-N,N-diethyl-1-propanamine IUPAC Name: 1-(1,6-diisothiocyanatobenzimidazol-2-yl)-3-(4-ethoxyphenyl)-N,N-diethylpropan-1-amine Traditional Name: [1-(1,6-diisothiocyanatobenzimidazol-2-yl)-3-p-phenetyl-propyl]-diethyl-amine Formula: C24H27N5OS2 MolecularWeight: 465.63408

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CCC1=CC=C(C=C1)OCC)C2=NC3=C(N2N=C=S)C=C(C=C3)N=C=S

Isomeric SMILES

CCN(CC)C(CCC1=CC=C(C=C1)OCC)C2=NC3=C(N2N=C=S)C=C(C=C3)N=C=S

InChI

InChI=1S/C24H27N5OS2/c1-4-28(5-2)22(14-9-18-7-11-20(12-8-18)30-6-3)24-27-21-13-10-19(25-16-31)15-23(21)29(24)26-17-32/h7-8,10-13,15,22H,4-6,9,14H2,1-3H3