N-[[(3R)-1-(1,4-dithiepan-6-yl)piperidin-3-yl]methyl]-4-phenyl-benzamide

Systemtic Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)piperidin-3-yl]methyl]-4-phenyl-benzamide Openeye Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)-3-piperidyl]methyl]-4-phenyl-benzamide CAS Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)-3-piperidinyl]methyl]-4-phenylbenzamide IUPAC Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)piperidin-3-yl]methyl]-4-phenylbenzamide Traditional Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)-3-piperidyl]methyl]-4-phenyl-benzamide Formula: C24H30N2OS2 MolecularWeight: 426.6378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CSCCSC2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C2CSCCSC2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H30N2OS2/c27-24(22-10-8-21(9-11-22)20-6-2-1-3-7-20)25-15-19-5-4-12-26(16-19)23-17-28-13-14-29-18-23/h1-3,6-11,19,23H,4-5,12-18H2,(H,25,27)/t19-/m1/s1