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

Systemtic Name: 3-ethyl-7-[[4-(phenylcarbamoylamino)phenyl]carbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-ethyl-7-[[4-(phenylcarbamoylamino)phenyl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[4-[[anilino(oxo)methyl]amino]anilino]-oxomethyl]-3-ethyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-ethyl-7-[[4-(phenylcarbamoylamino)phenyl]carbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-ethyl-7-[[4-(phenylcarbamoylamino)phenyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C24H20N5O3S- MolecularWeight: 458.5123

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4)[O-]

InChI

InChI=1S/C24H21N5O3S/c1-2-29-22(31)19-13-8-15(14-20(19)28-24(29)33)21(30)25-17-9-11-18(12-10-17)27-23(32)26-16-6-4-3-5-7-16/h3-14,31H,2H2,1H3,(H,25,30)(H2,26,27,32)/p-1