N-(4-morpholin-4-ylphenyl)-4-[2-oxidanylidene-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-4-[2-oxidanylidene-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide Openeye Name: N-(4-morpholinophenyl)-4-[2-oxo-3-[3-(1-piperidyl)propyl]benzimidazol-1-yl]piperidine-1-carbothioamide CAS Name: N-[4-(4-morpholinyl)phenyl]-4-[2-oxo-3-[3-(1-piperidinyl)propyl]-1-benzimidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide Traditional Name: 4-[2-keto-3-(3-piperidinopropyl)benzimidazol-1-yl]-N-(4-morpholinophenyl)piperidine-1-carbothioamide Formula: C31H42N6O2S MolecularWeight: 562.76918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCN2C3=CC=CC=C3N(C2=O)C4CCN(CC4)C(=S)NC5=CC=C(C=C5)N6CCOCC6

Isomeric SMILES

C1CCN(CC1)CCCN2C3=CC=CC=C3N(C2=O)C4CCN(CC4)C(=S)NC5=CC=C(C=C5)N6CCOCC6

InChI

InChI=1S/C31H42N6O2S/c38-31-36(18-6-17-33-15-4-1-5-16-33)28-7-2-3-8-29(28)37(31)27-13-19-35(20-14-27)30(40)32-25-9-11-26(12-10-25)34-21-23-39-24-22-34/h2-3,7-12,27H,1,4-6,13-24H2,(H,32,40)