4-butoxy-N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C19H18ClN3O2S2 MolecularWeight: 419.94812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C19H18ClN3O2S2/c1-2-3-11-25-13-9-7-12(8-10-13)17(24)22-18(26)23-19-21-16-14(20)5-4-6-15(16)27-19/h4-10H,2-3,11H2,1H3,(H2,21,22,23,24,26)