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

Systemtic Name: 7-[[(2S)-butan-2-yl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[[(1S)-1-methylpropyl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[[(2S)-butan-2-yl]amino]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[(2S)-butan-2-yl]carbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[[(1S)-1-methylpropyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C16H18N3O2S- MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC=C

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC=C

InChI

InChI=1S/C16H19N3O2S/c1-4-8-19-15(21)12-7-6-11(9-13(12)18-16(19)22)14(20)17-10(3)5-2/h4,6-7,9-10,21H,1,5,8H2,2-3H3,(H,17,20)/p-1/t10-/m0/s1