3-ethyl-N-[3-[methyl(phenyl)amino]propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-N-[3-[methyl(phenyl)amino]propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-N-[3-(N-methylanilino)propyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-N-[3-(N-methylanilino)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-N-[3-(N-methylanilino)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-4-keto-N-[3-(N-methylanilino)propyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN(C)C3=CC=CC=C3)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN(C)C3=CC=CC=C3)NC1=S

InChI

InChI=1S/C21H24N4O2S/c1-3-25-20(27)17-11-10-15(14-18(17)23-21(25)28)19(26)22-12-7-13-24(2)16-8-5-4-6-9-16/h4-6,8-11,14H,3,7,12-13H2,1-2H3,(H,22,26)(H,23,28)