N-[(5-chloranyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[(5-chloranyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-isobutoxy-benzamide CAS Name: N-[[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[(5-chloropiazthiol-4-yl)thiocarbamoyl]-3-isobutoxy-benzamide Formula: C18H17ClN4O2S2 MolecularWeight: 420.93618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC3=NSN=C32)Cl

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC3=NSN=C32)Cl

InChI

InChI=1S/C18H17ClN4O2S2/c1-10(2)9-25-12-5-3-4-11(8-12)17(24)21-18(26)20-15-13(19)6-7-14-16(15)23-27-22-14/h3-8,10H,9H2,1-2H3,(H2,20,21,24,26)