(2R,6S)-4-(6,7-dimethoxyquinazolin-4-yl)-2,6-dimethyl-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: (2R,6S)-4-(6,7-dimethoxyquinazolin-4-yl)-2,6-dimethyl-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: (2R,6S)-N-benzyl-4-(6,7-dimethoxyquinazolin-4-yl)-2,6-dimethyl-piperazine-1-carbothioamide CAS Name: (2R,6S)-4-(6,7-dimethoxy-4-quinazolinyl)-2,6-dimethyl-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: (2R,6S)-N-benzyl-4-(6,7-dimethoxyquinazolin-4-yl)-2,6-dimethylpiperazine-1-carbothioamide Traditional Name: (2R,6S)-N-benzyl-4-(6,7-dimethoxyquinazolin-4-yl)-2,6-dimethyl-piperazine-1-carbothioamide Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=S)NCC2=CC=CC=C2)C)C3=NC=NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1C(=S)NCC2=CC=CC=C2)C)C3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C24H29N5O2S/c1-16-13-28(14-17(2)29(16)24(32)25-12-18-8-6-5-7-9-18)23-19-10-21(30-3)22(31-4)11-20(19)26-15-27-23/h5-11,15-17H,12-14H2,1-4H3,(H,25,32)/t16-,17+