N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-propoxy-benzamide Openeye Name: 3-propoxy-N-[[4-(p-tolyl)thiazol-2-yl]carbamothioyl]benzamide CAS Name: N-[[[4-(4-methylphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-propoxybenzamide Traditional Name: 3-propoxy-N-[[4-(p-tolyl)thiazol-2-yl]thiocarbamoyl]benzamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H21N3O2S2/c1-3-11-26-17-6-4-5-16(12-17)19(25)23-20(27)24-21-22-18(13-28-21)15-9-7-14(2)8-10-15/h4-10,12-13H,3,11H2,1-2H3,(H2,22,23,24,25,27)