4-(6-methoxyquinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6-methoxyquinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(6-methoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: 4-(6-methoxy-4-quinazolinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(6-methoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(6-methoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-27-17-7-8-19-18(13-17)20(24-15-23-19)25-9-11-26(12-10-25)21(28)22-14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,22,28)