N-(2-ethylsulfanylethyl)-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide

Systemtic Name: N-(2-ethylsulfanylethyl)-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-(2-ethylsulfanylethyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-[2-(ethylthio)ethyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-(2-ethylsulfanylethyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-[2-(ethylthio)ethyl]-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)C

Isomeric SMILES

CCSCCNC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)C

InChI

InChI=1S/C24H26N4O2S/c1-4-13-28(16-18-6-11-22-21(15-18)24(30)27-17(3)26-22)20-9-7-19(8-10-20)23(29)25-12-14-31-5-2/h1,6-11,15H,5,12-14,16H2,2-3H3,(H,25,29)(H,26,27,30)