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

Systemtic Name: 1-[(E)-4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-ylideneamino]thiourea Openeye Name: [(E)-[1-methyl-3-[3-(5-methyl-2-furyl)-5-nitro-benzofuran-2-yl]propylidene]amino]thiourea CAS Name: [(E)-4-[3-(5-methyl-2-furanyl)-5-nitro-2-benzofuranyl]butan-2-ylideneamino]thiourea IUPAC Name: [(E)-4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-ylideneamino]thiourea Traditional Name: [(E)-[1-methyl-3-[3-(5-methyl-2-furyl)-5-nitro-benzofuran-2-yl]propylidene]amino]thiourea Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=C(OC3=C2C=C(C=C3)[N+](=O)[O-])CCC(=NNC(=S)N)C

Isomeric SMILES

CC1=CC=C(O1)C2=C(OC3=C2C=C(C=C3)[N+](=O)[O-])CC/C(=N/NC(=S)N)/C

InChI

InChI=1S/C18H18N4O4S/c1-10(20-21-18(19)27)3-6-16-17(15-7-4-11(2)25-15)13-9-12(22(23)24)5-8-14(13)26-16/h4-5,7-9H,3,6H2,1-2H3,(H3,19,21,27)/b20-10+