N-[3-[methyl(methylsulfonyl)amino]propyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3-[methyl(methylsulfonyl)amino]propyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-[methyl(methylsulfonyl)amino]propyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-[methyl(methylsulfonyl)amino]propyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[3-[mesyl(methyl)amino]propyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C)S(=O)(=O)C

Isomeric SMILES

CN(CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C)S(=O)(=O)C

InChI

InChI=1S/C17H22N4O4S2/c1-4-9-21-16(23)13-7-6-12(11-14(13)19-17(21)26)15(22)18-8-5-10-20(2)27(3,24)25/h4,6-7,11H,1,5,8-10H2,2-3H3,(H,18,22)(H,19,26)