N-[6-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-1,3-benzothiazol-2-yl]propanamide

Systemtic Name: N-[6-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-1,3-benzothiazol-2-yl]propanamide Openeye Name: N-[6-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-1,3-benzothiazol-2-yl]propanamide CAS Name: N-[6-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]propanamide IUPAC Name: N-[6-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-1,3-benzothiazol-2-yl]propanamide Traditional Name: N-[6-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]-1,3-benzothiazol-2-yl]propionamide Formula: C19H17ClN4O2S2 MolecularWeight: 432.94688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN4O2S2/c1-2-16(25)24-19-22-14-8-7-13(10-15(14)28-19)21-18(27)23-17(26)9-11-3-5-12(20)6-4-11/h3-8,10H,2,9H2,1H3,(H,22,24,25)(H2,21,23,26,27)