2-(4-ethoxyphenyl)carbonyl-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carbothioamide

Systemtic Name: 2-(4-ethoxyphenyl)carbonyl-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carbothioamide Openeye Name: 2-(4-ethoxybenzoyl)-N,N-diethyl-1-isopentyl-benzimidazole-5-carbothioamide CAS Name: 2-[(4-ethoxyphenyl)-oxomethyl]-N,N-diethyl-1-(3-methylbutyl)-5-benzimidazolecarbothioamide IUPAC Name: 2-(4-ethoxybenzoyl)-N,N-diethyl-1-(3-methylbutyl)benzimidazole-5-carbothioamide Traditional Name: 2-(4-ethoxybenzoyl)-N,N-diethyl-1-isoamyl-benzimidazole-5-carbothioamide Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)C1=CC2=C(C=C1)N(C(=N2)C(=O)C3=CC=C(C=C3)OCC)CCC(C)C

Isomeric SMILES

CCN(CC)C(=S)C1=CC2=C(C=C1)N(C(=N2)C(=O)C3=CC=C(C=C3)OCC)CCC(C)C

InChI

InChI=1S/C26H33N3O2S/c1-6-28(7-2)26(32)20-11-14-23-22(17-20)27-25(29(23)16-15-18(4)5)24(30)19-9-12-21(13-10-19)31-8-3/h9-14,17-18H,6-8,15-16H2,1-5H3