1-[[5-[(4-bromanyl-2-chloranyl-phenoxy)methyl]furan-2-yl]carbonylamino]-3-butyl-thiourea

Systemtic Name: 1-[[5-[(4-bromanyl-2-chloranyl-phenoxy)methyl]furan-2-yl]carbonylamino]-3-butyl-thiourea Openeye Name: 1-[[5-[(4-bromo-2-chloro-phenoxy)methyl]furan-2-carbonyl]amino]-3-butyl-thiourea CAS Name: 1-[[[5-[(4-bromo-2-chlorophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-3-butylthiourea IUPAC Name: 1-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-3-butylthiourea Traditional Name: 1-[[5-[(4-bromo-2-chloro-phenoxy)methyl]-2-furoyl]amino]-3-butyl-thiourea Formula: C17H19BrClN3O3S MolecularWeight: 460.77306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=O)C1=CC=C(O1)COC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CCCCNC(=S)NNC(=O)C1=CC=C(O1)COC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C17H19BrClN3O3S/c1-2-3-8-20-17(26)22-21-16(23)15-7-5-12(25-15)10-24-14-6-4-11(18)9-13(14)19/h4-7,9H,2-3,8,10H2,1H3,(H,21,23)(H2,20,22,26)