N-[1-(phenylmethyl)piperidin-4-yl]-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-4-yl]-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide Openeye Name: N-(1-benzyl-4-piperidyl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide CAS Name: N-[1-(phenylmethyl)-4-piperidinyl]-3-[[(6-phenyl-3-pyridazinyl)thio]methyl]benzamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzamide Traditional Name: N-(1-benzyl-4-piperidyl)-3-[[(6-phenylpyridazin-3-yl)thio]methyl]benzamide Formula: C30H30N4OS MolecularWeight: 494.6504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H30N4OS/c35-30(31-27-16-18-34(19-17-27)21-23-8-3-1-4-9-23)26-13-7-10-24(20-26)22-36-29-15-14-28(32-33-29)25-11-5-2-6-12-25/h1-15,20,27H,16-19,21-22H2,(H,31,35)