N-[2-(azepan-1-yl)ethyl]-4-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]oxy-benzamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-4-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]oxy-benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-4-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]oxy-benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-4-[[3-[(4-chlorophenyl)thio]-2-pyrazinyl]oxy]benzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-4-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]oxybenzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-4-[3-[(4-chlorophenyl)thio]pyrazin-2-yl]oxy-benzamide Formula: C25H27ClN4O2S MolecularWeight: 483.02548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2=CC=C(C=C2)OC3=NC=CN=C3SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2=CC=C(C=C2)OC3=NC=CN=C3SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H27ClN4O2S/c26-20-7-11-22(12-8-20)33-25-24(28-13-14-29-25)32-21-9-5-19(6-10-21)23(31)27-15-18-30-16-3-1-2-4-17-30/h5-14H,1-4,15-18H2,(H,27,31)