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

Systemtic Name: N-[(4-pentylphenyl)carbamothioyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide Openeye Name: N-[(4-pentylphenyl)carbamothioyl]-2-(3-pyridyl)thiazole-4-carboxamide CAS Name: N-[(4-pentylanilino)-sulfanylidenemethyl]-2-(3-pyridinyl)-4-thiazolecarboxamide IUPAC Name: N-[(4-pentylphenyl)carbamothioyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]-2-(3-pyridyl)thiazole-4-carboxamide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CSC(=N2)C3=CN=CC=C3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CSC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C21H22N4OS2/c1-2-3-4-6-15-8-10-17(11-9-15)23-21(27)25-19(26)18-14-28-20(24-18)16-7-5-12-22-13-16/h5,7-14H,2-4,6H2,1H3,(H2,23,25,26,27)