3-butoxy-N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C20H20ClN3O2S2 MolecularWeight: 433.9747

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C(=C3)Cl)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C(=C3)Cl)C

InChI

InChI=1S/C20H20ClN3O2S2/c1-3-4-8-26-14-7-5-6-13(10-14)18(25)23-19(27)24-20-22-16-11-15(21)12(2)9-17(16)28-20/h5-7,9-11H,3-4,8H2,1-2H3,(H2,22,23,24,25,27)