N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-1,2-dithiolane-3-carboxamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-1,2-dithiolane-3-carboxamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]dithiolane-3-carboxamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-3-dithiolanecarboxamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]dithiolane-3-carboxamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]dithiolane-3-carboxamide Formula: C18H15BrN4OS2 MolecularWeight: 447.3719

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CSSC1C(=O)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br

InChI

InChI=1S/C18H15BrN4OS2/c19-11-2-1-3-12(8-11)22-17-14-9-13(4-5-15(14)20-10-21-17)23-18(24)16-6-7-25-26-16/h1-5,8-10,16H,6-7H2,(H,23,24)(H,20,21,22)