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

Systemtic Name: 7-[(4-butylphenyl)carbamoyl]-3-ethyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[(4-butylphenyl)carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[(4-butylanilino)-oxomethyl]-3-ethyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[(4-butylphenyl)carbamoyl]-3-ethyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[(4-butylphenyl)carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate Formula: C21H22N3O2S- MolecularWeight: 380.48328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-3-5-6-14-7-10-16(11-8-14)22-19(25)15-9-12-17-18(13-15)23-21(27)24(4-2)20(17)26/h7-13,26H,3-6H2,1-2H3,(H,22,25)/p-1