N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[[4-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[4-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl]methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[4-[(2-amino-2-keto-ethyl)carbamoyl]benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)NCC(=O)N)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)NCC(=O)N)NC1=S

InChI

InChI=1S/C22H21N5O4S/c1-2-9-27-21(31)16-8-7-15(10-17(16)26-22(27)32)20(30)24-11-13-3-5-14(6-4-13)19(29)25-12-18(23)28/h2-8,10H,1,9,11-12H2,(H2,23,28)(H,24,30)(H,25,29)(H,26,32)