2-[2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H23ClN4O3S2 MolecularWeight: 491.02602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

InChI

InChI=1S/C22H23ClN4O3S2/c1-11(2)27-21(30)13-8-7-12(23)9-15(13)25-22(27)31-10-17(28)26-20-18(19(24)29)14-5-3-4-6-16(14)32-20/h7-9,11H,3-6,10H2,1-2H3,(H2,24,29)(H,26,28)