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

Systemtic Name: 1-[[6-cyano-2,2-dimethyl-4-(3-oxidanylidene-1H-isoindol-2-yl)chromen-3-yl]methyl]-3-ethyl-thiourea Openeye Name: 1-[[6-cyano-2,2-dimethyl-4-(1-oxoisoindolin-2-yl)chromen-3-yl]methyl]-3-ethyl-thiourea CAS Name: 1-[[6-cyano-2,2-dimethyl-4-(3-oxo-1H-isoindol-2-yl)-1-benzopyran-3-yl]methyl]-3-ethylthiourea IUPAC Name: 1-[[6-cyano-2,2-dimethyl-4-(3-oxo-1H-isoindol-2-yl)chromen-3-yl]methyl]-3-ethylthiourea Traditional Name: 1-[[6-cyano-4-(1-ketoisoindolin-2-yl)-2,2-dimethyl-chromen-3-yl]methyl]-3-ethyl-thiourea Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NCC1=C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CCNC(=S)NCC1=C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H24N4O2S/c1-4-26-23(31)27-13-19-21(28-14-16-7-5-6-8-17(16)22(28)29)18-11-15(12-25)9-10-20(18)30-24(19,2)3/h5-11H,4,13-14H2,1-3H3,(H2,26,27,31)