N-tert-butyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: N-tert-butyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide CAS Name: N-tert-butyl-2-[(4-oxo-1H-quinazolin-2-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide Traditional Name: N-benzyl-N-tert-butyl-2-[(4-keto-1H-quinazolin-2-yl)thio]acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H23N3O2S/c1-21(2,3)24(13-15-9-5-4-6-10-15)18(25)14-27-20-22-17-12-8-7-11-16(17)19(26)23-20/h4-12H,13-14H2,1-3H3,(H,22,23,26)