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1-(4-bromophenyl)-3-[8-[3-(carbamothioylamino)phenoxy]octyl]thiourea
1-(4-bromophenyl)-3-[8-[3-(carbamothioylamino)phenoxy]octyl]thiourea
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC(=CC(=C1)OCCCCCCCCNC(=S)NC2=CC=C(C=C2)Br)NC(=S)N
Isomeric SMILES
C1=CC(=CC(=C1)OCCCCCCCCNC(=S)NC2=CC=C(C=C2)Br)NC(=S)N
InChI
InChI=1S/C22H29BrN4OS2/c23-17-10-12-18(13-11-17)27-22(30)25-14-5-3-1-2-4-6-15-28-20-9-7-8-19(16-20)26-21(24)29/h7-13,16H,1-6,14-15H2,(H3,24,26,29)(H2,25,27,30)
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