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

Systemtic Name: N-(diphenylmethyl)-4-[3-(3-morpholin-4-ylpropyl)-2-oxidanylidene-benzimidazol-1-yl]piperidine-1-carbothioamide Openeye Name: N-benzhydryl-4-[3-(3-morpholinopropyl)-2-oxo-benzimidazol-1-yl]piperidine-1-carbothioamide CAS Name: N-(diphenylmethyl)-4-[3-[3-(4-morpholinyl)propyl]-2-oxo-1-benzimidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-benzhydryl-4-[3-(3-morpholin-4-ylpropyl)-2-oxobenzimidazol-1-yl]piperidine-1-carbothioamide Traditional Name: N-benzhydryl-4-[2-keto-3-(3-morpholinopropyl)benzimidazol-1-yl]piperidine-1-carbothioamide Formula: C33H39N5O2S MolecularWeight: 569.76006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CCCN4CCOCC4)C(=S)NC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CCCN4CCOCC4)C(=S)NC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H39N5O2S/c39-33-37(19-9-18-35-22-24-40-25-23-35)29-14-7-8-15-30(29)38(33)28-16-20-36(21-17-28)32(41)34-31(26-10-3-1-4-11-26)27-12-5-2-6-13-27/h1-8,10-15,28,31H,9,16-25H2,(H,34,41)