1-[(E)-4-[5-bromanyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylideneamino]thiourea

Systemtic Name: 1-[(E)-4-[5-bromanyl-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylideneamino]thiourea Openeye Name: [(E)-[3-[5-bromo-3-(5-methyl-2-furyl)benzofuran-2-yl]-1-methyl-propylidene]amino]thiourea CAS Name: [(E)-4-[5-bromo-3-(5-methyl-2-furanyl)-2-benzofuranyl]butan-2-ylideneamino]thiourea IUPAC Name: [(E)-4-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-ylideneamino]thiourea Traditional Name: [(E)-[3-[5-bromo-3-(5-methyl-2-furyl)benzofuran-2-yl]-1-methyl-propylidene]amino]thiourea Formula: C18H18BrN3O2S MolecularWeight: 420.32342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=C(OC3=C2C=C(C=C3)Br)CCC(=NNC(=S)N)C

Isomeric SMILES

CC1=CC=C(O1)C2=C(OC3=C2C=C(C=C3)Br)CC/C(=N/NC(=S)N)/C

InChI

InChI=1S/C18H18BrN3O2S/c1-10(21-22-18(20)25)3-6-16-17(15-7-4-11(2)23-15)13-9-12(19)5-8-14(13)24-16/h4-5,7-9H,3,6H2,1-2H3,(H3,20,22,25)/b21-10+