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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)C(C)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)C(C)C

InChI

InChI=1S/C23H26N4O2S/c1-5-13-27-22(29)19-12-7-16(14-20(19)25-23(27)30)21(28)24-17-8-10-18(11-9-17)26(6-2)15(3)4/h5,7-12,14-15H,1,6,13H2,2-4H3,(H,24,28)(H,25,30)