N-[4-[(2S)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[(2S)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[(2S)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide CAS Name: N-[4-[(2S)-1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(2S)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[(2S)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]propanoyl]phenyl]methanesulfonamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C21H21N3O4S2/c1-4-13-24-20(26)17-7-5-6-8-18(17)22-21(24)29-14(2)19(25)15-9-11-16(12-10-15)23-30(3,27)28/h4-12,14,23H,1,13H2,2-3H3/t14-/m0/s1