3-methyl-7-[[(1S,3S)-3-methylcyclohexyl]carbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-methyl-7-[[(1S,3S)-3-methylcyclohexyl]carbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-methyl-7-[[(1S,3S)-3-methylcyclohexyl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-methyl-7-[[[(1S,3S)-3-methylcyclohexyl]amino]-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-methyl-7-[[(1S,3S)-3-methylcyclohexyl]carbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-methyl-7-[[(1S,3S)-3-methylcyclohexyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C17H20N3O2S- MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C

InChI

InChI=1S/C17H21N3O2S/c1-10-4-3-5-12(8-10)18-15(21)11-6-7-13-14(9-11)19-17(23)20(2)16(13)22/h6-7,9-10,12,22H,3-5,8H2,1-2H3,(H,18,21)/p-1/t10-,12-/m0/s1