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

Systemtic Name: 7-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[[(1R,2S)-2-methylcyclohexyl]amino]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C19H22N3O2S- MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC=C

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2S/c1-3-10-22-18(24)14-9-8-13(11-16(14)21-19(22)25)17(23)20-15-7-5-4-6-12(15)2/h3,8-9,11-12,15,24H,1,4-7,10H2,2H3,(H,20,23)/p-1/t12-,15+/m0/s1