1-[[5-[(4-bromanylphenoxy)methyl]furan-2-yl]carbonylamino]-3-[(2S)-butan-2-yl]thiourea

Systemtic Name: 1-[[5-[(4-bromanylphenoxy)methyl]furan-2-yl]carbonylamino]-3-[(2S)-butan-2-yl]thiourea Openeye Name: 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-3-[(1S)-1-methylpropyl]thiourea CAS Name: 1-[[[5-[(4-bromophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-3-[(2S)-butan-2-yl]thiourea IUPAC Name: 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-3-[(2S)-butan-2-yl]thiourea Traditional Name: 1-[[5-[(4-bromophenoxy)methyl]-2-furoyl]amino]-3-[(1S)-1-methylpropyl]thiourea Formula: C17H20BrN3O3S MolecularWeight: 426.328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)NNC(=O)C1=CC=C(O1)COC2=CC=C(C=C2)Br

Isomeric SMILES

CC[C@H](C)NC(=S)NNC(=O)C1=CC=C(O1)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H20BrN3O3S/c1-3-11(2)19-17(25)21-20-16(22)15-9-8-14(24-15)10-23-13-6-4-12(18)5-7-13/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H2,19,21,25)/t11-/m0/s1