4-[6,7-bis(fluoranyl)quinazolin-4-yl]-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[6,7-bis(fluoranyl)quinazolin-4-yl]-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(6,7-difluoroquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: 4-(6,7-difluoro-4-quinazolinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(6,7-difluoroquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(6,7-difluoroquinazolin-4-yl)piperazine-1-carbothioamide Formula: C20H19F2N5S MolecularWeight: 399.460166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=CC(=C(C=C32)F)F)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=CC(=C(C=C32)F)F)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C20H19F2N5S/c21-16-10-15-18(11-17(16)22)24-13-25-19(15)26-6-8-27(9-7-26)20(28)23-12-14-4-2-1-3-5-14/h1-5,10-11,13H,6-9,12H2,(H,23,28)