N-[bis(4-methoxyphenyl)methyl]-4-[2-oxidanylidene-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide

Systemtic Name: N-[bis(4-methoxyphenyl)methyl]-4-[2-oxidanylidene-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide Openeye Name: N-[bis(4-methoxyphenyl)methyl]-4-[2-oxo-3-[3-(1-piperidyl)propyl]benzimidazol-1-yl]piperidine-1-carbothioamide CAS Name: N-[bis(4-methoxyphenyl)methyl]-4-[2-oxo-3-[3-(1-piperidinyl)propyl]-1-benzimidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-[bis(4-methoxyphenyl)methyl]-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide Traditional Name: N-[bis(4-methoxyphenyl)methyl]-4-[2-keto-3-(3-piperidinopropyl)benzimidazol-1-yl]piperidine-1-carbothioamide Formula: C36H45N5O3S MolecularWeight: 627.8392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=S)N3CCC(CC3)N4C5=CC=CC=C5N(C4=O)CCCN6CCCCC6

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=S)N3CCC(CC3)N4C5=CC=CC=C5N(C4=O)CCCN6CCCCC6

InChI

InChI=1S/C36H45N5O3S/c1-43-30-15-11-27(12-16-30)34(28-13-17-31(44-2)18-14-28)37-35(45)39-25-19-29(20-26-39)41-33-10-5-4-9-32(33)40(36(41)42)24-8-23-38-21-6-3-7-22-38/h4-5,9-18,29,34H,3,6-8,19-26H2,1-2H3,(H,37,45)