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

Systemtic Name: 1-[[6-cyano-2,2-dimethyl-4-(2-oxidanylidenepyrrolidin-1-yl)chromen-3-yl]methyl]-3-ethyl-thiourea Openeye Name: 1-[[6-cyano-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromen-3-yl]methyl]-3-ethyl-thiourea CAS Name: 1-[[6-cyano-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-1-benzopyran-3-yl]methyl]-3-ethylthiourea IUPAC Name: 1-[[6-cyano-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromen-3-yl]methyl]-3-ethylthiourea Traditional Name: 1-[[6-cyano-4-(2-ketopyrrolidino)-2,2-dimethyl-chromen-3-yl]methyl]-3-ethyl-thiourea Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NCC1=C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3CCCC3=O

Isomeric SMILES

CCNC(=S)NCC1=C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3CCCC3=O

InChI

InChI=1S/C20H24N4O2S/c1-4-22-19(27)23-12-15-18(24-9-5-6-17(24)25)14-10-13(11-21)7-8-16(14)26-20(15,2)3/h7-8,10H,4-6,9,12H2,1-3H3,(H2,22,23,27)