1-[[1-(4-nitrophenyl)-1-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)pentan-3-ylidene]amino]thiourea

Systemtic Name: 1-[[1-(4-nitrophenyl)-1-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)pentan-3-ylidene]amino]thiourea Openeye Name: [[1-ethyl-3-(2-hydroxy-4-oxo-chromen-3-yl)-3-(4-nitrophenyl)propylidene]amino]thiourea CAS Name: [[1-(2-hydroxy-4-oxo-1-benzopyran-3-yl)-1-(4-nitrophenyl)pentan-3-ylidene]amino]thiourea IUPAC Name: [[1-(2-hydroxy-4-oxochromen-3-yl)-1-(4-nitrophenyl)pentan-3-ylidene]amino]thiourea Traditional Name: [[1-ethyl-3-(2-hydroxy-4-keto-chromen-3-yl)-3-(4-nitrophenyl)propylidene]amino]thiourea Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=S)N)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)O

Isomeric SMILES

CCC(=NNC(=S)N)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)O

InChI

InChI=1S/C21H20N4O5S/c1-2-13(23-24-21(22)31)11-16(12-7-9-14(10-8-12)25(28)29)18-19(26)15-5-3-4-6-17(15)30-20(18)27/h3-10,16,27H,2,11H2,1H3,(H3,22,24,31)