1,3-diethyl-5-[[(3-methylthiophen-2-yl)methyl-(2-oxidanylpropyl)amino]methyl]benzimidazol-2-one

Systemtic Name: 1,3-diethyl-5-[[(3-methylthiophen-2-yl)methyl-(2-oxidanylpropyl)amino]methyl]benzimidazol-2-one Openeye Name: 1,3-diethyl-5-[[2-hydroxypropyl-[(3-methyl-2-thienyl)methyl]amino]methyl]benzimidazol-2-one CAS Name: 1,3-diethyl-5-[[2-hydroxypropyl-[(3-methyl-2-thiophenyl)methyl]amino]methyl]-2-benzimidazolone IUPAC Name: 1,3-diethyl-5-[[2-hydroxypropyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]benzimidazol-2-one Traditional Name: 1,3-diethyl-5-[[2-hydroxypropyl-[(3-methyl-2-thienyl)methyl]amino]methyl]benzimidazol-2-one Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN(CC3=C(C=CS3)C)CC(C)O)N(C1=O)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN(CC3=C(C=CS3)C)CC(C)O)N(C1=O)CC

InChI

InChI=1S/C21H29N3O2S/c1-5-23-18-8-7-17(11-19(18)24(6-2)21(23)26)13-22(12-16(4)25)14-20-15(3)9-10-27-20/h7-11,16,25H,5-6,12-14H2,1-4H3