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1-(4-bromophenyl)-3-[7-[3-(carbamothioylamino)phenoxy]heptyl]thiourea
1-(4-bromophenyl)-3-[7-[3-(carbamothioylamino)phenoxy]heptyl]thiourea
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC(=CC(=C1)OCCCCCCCNC(=S)NC2=CC=C(C=C2)Br)NC(=S)N
Isomeric SMILES
C1=CC(=CC(=C1)OCCCCCCCNC(=S)NC2=CC=C(C=C2)Br)NC(=S)N
InChI
InChI=1S/C21H27BrN4OS2/c22-16-9-11-17(12-10-16)26-21(29)24-13-4-2-1-3-5-14-27-19-8-6-7-18(15-19)25-20(23)28/h6-12,15H,1-5,13-14H2,(H3,23,25,28)(H2,24,26,29)
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