N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(2S)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC(C3=CC=CS3)N4CCOCC4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC[C@@H](C3=CC=CS3)N4CCOCC4)NC1=S

InChI

InChI=1S/C22H24N4O3S2/c1-2-7-26-21(28)16-6-5-15(13-17(16)24-22(26)30)20(27)23-14-18(19-4-3-12-31-19)25-8-10-29-11-9-25/h2-6,12-13,18H,1,7-11,14H2,(H,23,27)(H,24,30)/t18-/m0/s1