3-(3-phenylpropanoylamino)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(3-phenylpropanoylamino)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(3-phenylpropanoylamino)-2-thioxo-quinazolin-4-olate CAS Name: 3-[(1-oxo-3-phenylpropyl)amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(3-phenylpropanoylamino)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(hydrocinnamoylamino)-2-thioxo-quinazolin-4-olate Formula: C17H14N3O2S- MolecularWeight: 324.37696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NN2C(=C3C=CC=CC3=NC2=S)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NN2C(=C3C=CC=CC3=NC2=S)[O-]

InChI

InChI=1S/C17H15N3O2S/c21-15(11-10-12-6-2-1-3-7-12)19-20-16(22)13-8-4-5-9-14(13)18-17(20)23/h1-9,22H,10-11H2,(H,19,21)/p-1