7-[(3,4-dimethoxyphenyl)methyl-ethyl-carbamoyl]-3-(2-methylpropyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[(3,4-dimethoxyphenyl)methyl-ethyl-carbamoyl]-3-(2-methylpropyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[(3,4-dimethoxyphenyl)methyl-ethyl-carbamoyl]-3-isobutyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[[(3,4-dimethoxyphenyl)methyl-ethylamino]-oxomethyl]-3-(2-methylpropyl)-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[(3,4-dimethoxyphenyl)methyl-ethylcarbamoyl]-3-(2-methylpropyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[ethyl(veratryl)carbamoyl]-3-isobutyl-2-thioxo-quinazolin-4-olate Formula: C24H28N3O4S- MolecularWeight: 454.56182

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC(C)C

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC(C)C

InChI

InChI=1S/C24H29N3O4S/c1-6-26(14-16-7-10-20(30-4)21(11-16)31-5)22(28)17-8-9-18-19(12-17)25-24(32)27(23(18)29)13-15(2)3/h7-12,15,29H,6,13-14H2,1-5H3/p-1