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

Systemtic Name: 1-[[6-cyano-2,2-dimethyl-4-(3-oxidanylidene-1H-isoindol-2-yl)chromen-3-yl]methyl]-3-methyl-thiourea Openeye Name: 1-[[6-cyano-2,2-dimethyl-4-(1-oxoisoindolin-2-yl)chromen-3-yl]methyl]-3-methyl-thiourea CAS Name: 1-[[6-cyano-2,2-dimethyl-4-(3-oxo-1H-isoindol-2-yl)-1-benzopyran-3-yl]methyl]-3-methylthiourea IUPAC Name: 1-[[6-cyano-2,2-dimethyl-4-(3-oxo-1H-isoindol-2-yl)chromen-3-yl]methyl]-3-methylthiourea Traditional Name: 1-[[6-cyano-4-(1-ketoisoindolin-2-yl)-2,2-dimethyl-chromen-3-yl]methyl]-3-methyl-thiourea Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)C#N)N3CC4=CC=CC=C4C3=O)CNC(=S)NC)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)C#N)N3CC4=CC=CC=C4C3=O)CNC(=S)NC)C

InChI

InChI=1S/C23H22N4O2S/c1-23(2)18(12-26-22(30)25-3)20(17-10-14(11-24)8-9-19(17)29-23)27-13-15-6-4-5-7-16(15)21(27)28/h4-10H,12-13H2,1-3H3,(H2,25,26,30)