7-[[(2R)-4-phenylbutan-2-yl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[[(2R)-4-phenylbutan-2-yl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[[(1R)-1-methyl-3-phenyl-propyl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[oxo-[[(2R)-4-phenylbutan-2-yl]amino]methyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[(2R)-4-phenylbutan-2-yl]carbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[[(1R)-1-methyl-3-phenyl-propyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C22H22N3O2S- MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC=C

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC=C

InChI

InChI=1S/C22H23N3O2S/c1-3-13-25-21(27)18-12-11-17(14-19(18)24-22(25)28)20(26)23-15(2)9-10-16-7-5-4-6-8-16/h3-8,11-12,14-15,27H,1,9-10,13H2,2H3,(H,23,26)/p-1/t15-/m1/s1