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

Systemtic Name: 1-[[2,2-dimethyl-6-nitro-4-(3-oxidanylidene-1H-isoindol-2-yl)chromen-3-yl]methyl]-3-ethyl-thiourea Openeye Name: 1-[[2,2-dimethyl-6-nitro-4-(1-oxoisoindolin-2-yl)chromen-3-yl]methyl]-3-ethyl-thiourea CAS Name: 1-[[2,2-dimethyl-6-nitro-4-(3-oxo-1H-isoindol-2-yl)-1-benzopyran-3-yl]methyl]-3-ethylthiourea IUPAC Name: 1-[[2,2-dimethyl-6-nitro-4-(3-oxo-1H-isoindol-2-yl)chromen-3-yl]methyl]-3-ethylthiourea Traditional Name: 1-ethyl-3-[[4-(1-ketoisoindolin-2-yl)-2,2-dimethyl-6-nitro-chromen-3-yl]methyl]thiourea Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NCC1=C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(C)C)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CCNC(=S)NCC1=C(C2=C(C=CC(=C2)[N+](=O)[O-])OC1(C)C)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H24N4O4S/c1-4-24-22(32)25-12-18-20(26-13-14-7-5-6-8-16(14)21(26)28)17-11-15(27(29)30)9-10-19(17)31-23(18,2)3/h5-11H,4,12-13H2,1-3H3,(H2,24,25,32)