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

Systemtic Name: 1-[[2,2-dimethyl-6-nitro-4-(2-oxidanylidenepyrrolidin-1-yl)chromen-3-yl]methyl]-3-methyl-thiourea Openeye Name: 1-[[2,2-dimethyl-6-nitro-4-(2-oxopyrrolidin-1-yl)chromen-3-yl]methyl]-3-methyl-thiourea CAS Name: 1-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyrrolidinyl)-1-benzopyran-3-yl]methyl]-3-methylthiourea IUPAC Name: 1-[[2,2-dimethyl-6-nitro-4-(2-oxopyrrolidin-1-yl)chromen-3-yl]methyl]-3-methylthiourea Traditional Name: 1-[[4-(2-ketopyrrolidino)-2,2-dimethyl-6-nitro-chromen-3-yl]methyl]-3-methyl-thiourea Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CCCC3=O)CNC(=S)NC)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CCCC3=O)CNC(=S)NC)C

InChI

InChI=1S/C18H22N4O4S/c1-18(2)13(10-20-17(27)19-3)16(21-8-4-5-15(21)23)12-9-11(22(24)25)6-7-14(12)26-18/h6-7,9H,4-5,8,10H2,1-3H3,(H2,19,20,27)