5-[[3-(dimethylamino)-4-prop-2-ynyl-phenoxy]methylamino]-1,3-dihydrobenzimidazole-2-thione

Systemtic Name: 5-[[3-(dimethylamino)-4-prop-2-ynyl-phenoxy]methylamino]-1,3-dihydrobenzimidazole-2-thione Openeye Name: 5-[[3-(dimethylamino)-4-prop-2-ynyl-phenoxy]methylamino]-1,3-dihydrobenzimidazole-2-thione CAS Name: 5-[[3-(dimethylamino)-4-prop-2-ynylphenoxy]methylamino]-1,3-dihydrobenzimidazole-2-thione IUPAC Name: 5-[[3-(dimethylamino)-4-prop-2-ynylphenoxy]methylamino]-1,3-dihydrobenzimidazole-2-thione Traditional Name: 5-[[3-(dimethylamino)-4-propargyl-phenoxy]methylamino]-1,3-dihydrobenzimidazole-2-thione Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC(=C1)OCNC2=CC3=C(C=C2)NC(=S)N3)CC#C

Isomeric SMILES

CN(C)C1=C(C=CC(=C1)OCNC2=CC3=C(C=C2)NC(=S)N3)CC#C

InChI

InChI=1S/C19H20N4OS/c1-4-5-13-6-8-15(11-18(13)23(2)3)24-12-20-14-7-9-16-17(10-14)22-19(25)21-16/h1,6-11,20H,5,12H2,2-3H3,(H2,21,22,25)