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

Systemtic Name: N-(2-tert-butylsulfanylethyl)-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-(2-tert-butylsulfanylethyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-[2-(tert-butylthio)ethyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-[2-(tert-butylthio)ethyl]-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCCSC(C)(C)C

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCCSC(C)(C)C

InChI

InChI=1S/C26H30N4O2S/c1-6-14-30(17-19-7-12-23-22(16-19)25(32)29-18(2)28-23)21-10-8-20(9-11-21)24(31)27-13-15-33-26(3,4)5/h1,7-12,16H,13-15,17H2,2-5H3,(H,27,31)(H,28,29,32)