4-butoxy-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[4-(4-chlorophenyl)thiazol-2-yl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[4-(4-chlorophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[4-(4-chlorophenyl)thiazol-2-yl]thiocarbamoyl]benzamide Formula: C21H20ClN3O2S2 MolecularWeight: 445.9854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O2S2/c1-2-3-12-27-17-10-6-15(7-11-17)19(26)24-20(28)25-21-23-18(13-29-21)14-4-8-16(22)9-5-14/h4-11,13H,2-3,12H2,1H3,(H2,23,24,25,26,28)