1-[[2,2-dimethyl-6-nitro-4-(2-oxidanylidenepyridin-1-yl)chromen-3-yl]methyl]-3-ethyl-1-methyl-thiourea

Systemtic Name: 1-[[2,2-dimethyl-6-nitro-4-(2-oxidanylidenepyridin-1-yl)chromen-3-yl]methyl]-3-ethyl-1-methyl-thiourea Openeye Name: 1-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridyl)chromen-3-yl]methyl]-3-ethyl-1-methyl-thiourea CAS Name: 1-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)-1-benzopyran-3-yl]methyl]-3-ethyl-1-methylthiourea IUPAC Name: 1-[[2,2-dimethyl-6-nitro-4-(2-oxopyridin-1-yl)chromen-3-yl]methyl]-3-ethyl-1-methylthiourea Traditional Name: 3-ethyl-1-[[4-(2-keto-1-pyridyl)-2,2-dimethyl-6-nitro-chromen-3-yl]methyl]-1-methyl-thiourea Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(C)CC1=C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(C)C)N3C=CC=CC3=O

Isomeric SMILES

CCNC(=S)N(C)CC1=C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(C)C)N3C=CC=CC3=O

InChI

InChI=1S/C21H24N4O4S/c1-5-22-20(30)23(4)13-16-19(24-11-7-6-8-18(24)26)15-12-14(25(27)28)9-10-17(15)29-21(16,2)3/h6-12H,5,13H2,1-4H3,(H,22,30)