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

Systemtic Name: 1-[[6-cyano-2,2-dimethyl-4-(3-oxidanylidene-1H-isoindol-2-yl)chromen-3-yl]methyl]-3-ethyl-1-methyl-thiourea Openeye Name: 1-[[6-cyano-2,2-dimethyl-4-(1-oxoisoindolin-2-yl)chromen-3-yl]methyl]-3-ethyl-1-methyl-thiourea CAS Name: 1-[[6-cyano-2,2-dimethyl-4-(3-oxo-1H-isoindol-2-yl)-1-benzopyran-3-yl]methyl]-3-ethyl-1-methylthiourea IUPAC Name: 1-[[6-cyano-2,2-dimethyl-4-(3-oxo-1H-isoindol-2-yl)chromen-3-yl]methyl]-3-ethyl-1-methylthiourea Traditional Name: 1-[[6-cyano-4-(1-ketoisoindolin-2-yl)-2,2-dimethyl-chromen-3-yl]methyl]-3-ethyl-1-methyl-thiourea Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(C)CC1=C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CCNC(=S)N(C)CC1=C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H26N4O2S/c1-5-27-24(32)28(4)15-20-22(29-14-17-8-6-7-9-18(17)23(29)30)19-12-16(13-26)10-11-21(19)31-25(20,2)3/h6-12H,5,14-15H2,1-4H3,(H,27,32)