N-[2-(cyanomethylsulfanyl)phenyl]-2-[ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]amino]acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C21H21N5O2S/c1-2-26(13-19-23-16-8-4-3-7-15(16)21(28)25-19)14-20(27)24-17-9-5-6-10-18(17)29-12-11-22/h3-10H,2,12-14H2,1H3,(H,24,27)(H,23,25,28)