(2R,6S)-4-(6,7-dimethoxyquinazolin-4-yl)-2,6-dimethyl-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: (2R,6S)-4-(6,7-dimethoxyquinazolin-4-yl)-2,6-dimethyl-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: (2R,6S)-4-(6,7-dimethoxyquinazolin-4-yl)-2,6-dimethyl-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: (2R,6S)-4-(6,7-dimethoxy-4-quinazolinyl)-2,6-dimethyl-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: (2R,6S)-4-(6,7-dimethoxyquinazolin-4-yl)-2,6-dimethyl-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: (2R,6S)-4-(6,7-dimethoxyquinazolin-4-yl)-2,6-dimethyl-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C23H28N6O2S MolecularWeight: 452.57242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O2S/c1-15-12-28(13-16(2)29(15)23(32)25-11-17-6-5-7-24-10-17)22-18-8-20(30-3)21(31-4)9-19(18)26-14-27-22/h5-10,14-16H,11-13H2,1-4H3,(H,25,32)/t15-,16+