N-[(4-pentoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: N-[(4-pentoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: N-[(4-pentoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: N-[(4-pentoxyanilino)-sulfanylidenemethyl]-6-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[(4-pentoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CN3C(=CC=N3)N=C2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CN3C(=CC=N3)N=C2

InChI

InChI=1S/C19H21N5O2S/c1-2-3-4-11-26-16-7-5-15(6-8-16)22-19(27)23-18(25)14-12-20-17-9-10-21-24(17)13-14/h5-10,12-13H,2-4,11H2,1H3,(H2,22,23,25,27)