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

Systemtic Name: 3-ethyl-7-[phenethyl-(phenylmethyl)carbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[benzyl(phenethyl)carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate CAS Name: 3-ethyl-7-[oxo-[phenethyl-(phenylmethyl)amino]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[benzyl(phenethyl)carbamoyl]-3-ethyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[benzyl(phenethyl)carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate Formula: C26H24N3O2S- MolecularWeight: 442.55266

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C26H25N3O2S/c1-2-29-25(31)22-14-13-21(17-23(22)27-26(29)32)24(30)28(18-20-11-7-4-8-12-20)16-15-19-9-5-3-6-10-19/h3-14,17,31H,2,15-16,18H2,1H3/p-1