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1-[3-(azepan-1-ylsulfonyl)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea
1-[3-(azepan-1-ylsulfonyl)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea
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Descriptors Computed from Structure
Canonical SMILES:
COC1=CC=C(C=C1)CNC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3
Isomeric SMILES
COC1=CC=C(C=C1)CNC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3
InChI
InChI=1S/C21H27N3O3S2/c1-27-19-11-9-17(10-12-19)16-22-21(28)23-18-7-6-8-20(15-18)29(25,26)24-13-4-2-3-5-14-24/h6-12,15H,2-5,13-14,16H2,1H3,(H2,22,23,28)
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