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

Systemtic Name: N-[3-[ethyl(phenyl)amino]propyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[3-(N-ethylanilino)propyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-(N-ethylanilino)propyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-(N-ethylanilino)propyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[3-(N-ethylanilino)propyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C)C3=CC=CC=C3

Isomeric SMILES

CCN(CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O2S/c1-3-14-27-22(29)19-12-11-17(16-20(19)25-23(27)30)21(28)24-13-8-15-26(4-2)18-9-6-5-7-10-18/h3,5-7,9-12,16H,1,4,8,13-15H2,2H3,(H,24,28)(H,25,30)