2-[(2S)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[(2S)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylquinazolin-4-olate Openeye Name: 2-[(1S)-1-[(4-acetylphenyl)carbamoyl]propyl]sulfanylquinazolin-4-olate CAS Name: 2-[[(2S)-1-(4-acetylanilino)-1-oxobutan-2-yl]thio]-4-quinazolinolate IUPAC Name: 2-[(2S)-1-(4-acetylanilino)-1-oxobutan-2-yl]sulfanylquinazolin-4-olate Traditional Name: 2-[[(1S)-1-[(4-acetylphenyl)carbamoyl]propyl]thio]quinazolin-4-olate Formula: C20H18N3O3S- MolecularWeight: 380.44022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C20H19N3O3S/c1-3-17(19(26)21-14-10-8-13(9-11-14)12(2)24)27-20-22-16-7-5-4-6-15(16)18(25)23-20/h4-11,17H,3H2,1-2H3,(H,21,26)(H,22,23,25)/p-1/t17-/m0/s1