4-(6,7-diethoxyquinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-diethoxyquinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(6,7-diethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: 4-(6,7-diethoxy-4-quinazolinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(6,7-diethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(6,7-diethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=CC=C4)OCC

InChI

InChI=1S/C24H29N5O2S/c1-3-30-21-14-19-20(15-22(21)31-4-2)26-17-27-23(19)28-10-12-29(13-11-28)24(32)25-16-18-8-6-5-7-9-18/h5-9,14-15,17H,3-4,10-13,16H2,1-2H3,(H,25,32)