2,4-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrrolo[1,2-a]pyrimidine-7-carboxamide

Systemtic Name: 2,4-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrrolo[1,2-a]pyrimidine-7-carboxamide Openeye Name: N-[(4-benzyloxyphenyl)carbamothioyl]-2,4-dimethyl-pyrrolo[1,2-a]pyrimidine-7-carboxamide CAS Name: 2,4-dimethyl-N-[(4-phenylmethoxyanilino)-sulfanylidenemethyl]-7-pyrrolo[1,2-a]pyrimidinecarboxamide IUPAC Name: 2,4-dimethyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]pyrrolo[1,2-a]pyrimidine-7-carboxamide Traditional Name: N-[(4-benzoxyphenyl)thiocarbamoyl]-2,4-dimethyl-pyrrolo[1,2-a]pyrimidine-7-carboxamide Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC(=CN12)C(=O)NC(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC2=CC(=CN12)C(=O)NC(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C24H22N4O2S/c1-16-12-17(2)28-14-19(13-22(28)25-16)23(29)27-24(31)26-20-8-10-21(11-9-20)30-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H2,26,27,29,31)