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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]oxy-benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]oxy-benzamide CAS Name: N-[3-(1-azepanyl)propyl]-4-[[3-[(4-chlorophenyl)thio]-2-pyrazinyl]oxy]benzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]oxybenzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-[3-[(4-chlorophenyl)thio]pyrazin-2-yl]oxy-benzamide Formula: C26H29ClN4O2S MolecularWeight: 497.05206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN4O2S/c27-21-8-12-23(13-9-21)34-26-25(29-15-16-30-26)33-22-10-6-20(7-11-22)24(32)28-14-5-19-31-17-3-1-2-4-18-31/h6-13,15-16H,1-5,14,17-19H2,(H,28,32)