[4-(4-thiomorpholin-4-ylquinazolin-2-yl)-1,4-diazepan-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(4-thiomorpholin-4-ylquinazolin-2-yl)-1,4-diazepan-1-yl]-thiophen-2-yl-methanone Openeye Name: 2-thienyl-[4-(4-thiomorpholinoquinazolin-2-yl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(4-thiomorpholin-4-yl-2-quinazolinyl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone IUPAC Name: [4-(4-thiomorpholin-4-ylquinazolin-2-yl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone Traditional Name: 2-thienyl-[4-(4-thiomorpholinoquinazolin-2-yl)-1,4-diazepan-1-yl]methanone Formula: C22H25N5OS2 MolecularWeight: 439.5968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=NC4=CC=CC=C4C(=N3)N5CCSCC5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=NC4=CC=CC=C4C(=N3)N5CCSCC5

InChI

InChI=1S/C22H25N5OS2/c28-21(19-7-3-14-30-19)26-8-4-9-27(11-10-26)22-23-18-6-2-1-5-17(18)20(24-22)25-12-15-29-16-13-25/h1-3,5-7,14H,4,8-13,15-16H2