N-[(4-pentoxyphenyl)carbamothioyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[(4-pentoxyphenyl)carbamothioyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide Openeye Name: N-[(4-pentoxyphenyl)carbamothioyl]-2-(3-pyridyl)thiazole-4-carboxamide CAS Name: N-[(4-pentoxyanilino)-sulfanylidenemethyl]-2-(3-pyridinyl)-4-thiazolecarboxamide IUPAC Name: N-[(4-pentoxyphenyl)carbamothioyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-2-(3-pyridyl)thiazole-4-carboxamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CSC(=N2)C3=CN=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CSC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C21H22N4O2S2/c1-2-3-4-12-27-17-9-7-16(8-10-17)23-21(28)25-19(26)18-14-29-20(24-18)15-6-5-11-22-13-15/h5-11,13-14H,2-4,12H2,1H3,(H2,23,25,26,28)