4-[cyclohexyl(2-ethylsulfanylethyl)carbamoyl]quinazolin-2-olate

Systemtic Name: 4-[cyclohexyl(2-ethylsulfanylethyl)carbamoyl]quinazolin-2-olate Openeye Name: 4-[cyclohexyl(2-ethylsulfanylethyl)carbamoyl]quinazolin-2-olate CAS Name: 4-[[cyclohexyl-[2-(ethylthio)ethyl]amino]-oxomethyl]-2-quinazolinolate IUPAC Name: 4-[cyclohexyl(2-ethylsulfanylethyl)carbamoyl]quinazolin-2-olate Traditional Name: 4-[cyclohexyl-[2-(ethylthio)ethyl]carbamoyl]quinazolin-2-olate Formula: C19H24N3O2S- MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN(C1CCCCC1)C(=O)C2=NC(=NC3=CC=CC=C32)[O-]

Isomeric SMILES

CCSCCN(C1CCCCC1)C(=O)C2=NC(=NC3=CC=CC=C32)[O-]

InChI

InChI=1S/C19H25N3O2S/c1-2-25-13-12-22(14-8-4-3-5-9-14)18(23)17-15-10-6-7-11-16(15)20-19(24)21-17/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,20,21,24)/p-1