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

Systemtic Name: 1-[[6-cyano-2,2-dimethyl-4-(2-oxidanylidenepyrrolidin-1-yl)chromen-3-yl]methyl]-3-ethyl-1-methyl-thiourea Openeye Name: 1-[[6-cyano-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromen-3-yl]methyl]-3-ethyl-1-methyl-thiourea CAS Name: 1-[[6-cyano-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-1-benzopyran-3-yl]methyl]-3-ethyl-1-methylthiourea IUPAC Name: 1-[[6-cyano-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromen-3-yl]methyl]-3-ethyl-1-methylthiourea Traditional Name: 1-[[6-cyano-4-(2-ketopyrrolidino)-2,2-dimethyl-chromen-3-yl]methyl]-3-ethyl-1-methyl-thiourea Formula: C21H26N4O2S MolecularWeight: 398.52174

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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)N3CCCC3=O

Isomeric SMILES

CCNC(=S)N(C)CC1=C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3CCCC3=O

InChI

InChI=1S/C21H26N4O2S/c1-5-23-20(28)24(4)13-16-19(25-10-6-7-18(25)26)15-11-14(12-22)8-9-17(15)27-21(16,2)3/h8-9,11H,5-7,10,13H2,1-4H3,(H,23,28)