7-[(4-butylphenyl)carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[(4-butylphenyl)carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[(4-butylphenyl)carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[(4-butylanilino)-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[(4-butylphenyl)carbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[(4-butylphenyl)carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C22H22N3O2S- MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC=C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC=C

InChI

InChI=1S/C22H23N3O2S/c1-3-5-6-15-7-10-17(11-8-15)23-20(26)16-9-12-18-19(14-16)24-22(28)25(13-4-2)21(18)27/h4,7-12,14,27H,2-3,5-6,13H2,1H3,(H,23,26)/p-1