3-[2-(cyclohexen-1-yl)ethyl]-7-[(3S,5R)-3,5-dimethylpiperidin-1-yl]carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[(3S,5R)-3,5-dimethylpiperidin-1-yl]carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-7-[[(3S,5R)-3,5-dimethyl-1-piperidinyl]-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-7-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-thioxo-quinazolin-4-olate Formula: C24H30N3O2S- MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CCC4=CCCCC4)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CCC4=CCCCC4)C

InChI

InChI=1S/C24H31N3O2S/c1-16-12-17(2)15-26(14-16)22(28)19-8-9-20-21(13-19)25-24(30)27(23(20)29)11-10-18-6-4-3-5-7-18/h6,8-9,13,16-17,29H,3-5,7,10-12,14-15H2,1-2H3/p-1/t16-,17+