N-[4-(azepan-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]benzamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[[(2R)-2-oxolanyl]methylthio]benzamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[[(2R)-tetrahydrofuran-2-yl]methylthio]benzamide Formula: C24H30N2O2S MolecularWeight: 410.5722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC4CCCO4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SC[C@H]4CCCO4

InChI

InChI=1S/C24H30N2O2S/c27-24(22-9-3-4-10-23(22)29-18-21-8-7-17-28-21)25-19-11-13-20(14-12-19)26-15-5-1-2-6-16-26/h3-4,9-14,21H,1-2,5-8,15-18H2,(H,25,27)/t21-/m1/s1