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1-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-(4-tert-butylphenyl)urea
1-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-(4-tert-butylphenyl)urea
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Descriptors Computed from Structure
Canonical SMILES:
CC(C)(C)C1=CC=C(C=C1)NC(=O)NCC(C2=CSC=C2)N3CCCCCC3
Isomeric SMILES
CC(C)(C)C1=CC=C(C=C1)NC(=O)NCC(C2=CSC=C2)N3CCCCCC3
InChI
InChI=1S/C23H33N3OS/c1-23(2,3)19-8-10-20(11-9-19)25-22(27)24-16-21(18-12-15-28-17-18)26-13-6-4-5-7-14-26/h8-12,15,17,21H,4-7,13-14,16H2,1-3H3,(H2,24,25,27)
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