N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-3-butoxy-benzamide

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-3-butoxy-benzamide Openeye Name: 3-butoxy-N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C19H17Cl2N3O2S2 MolecularWeight: 454.39318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17Cl2N3O2S2/c1-2-3-9-26-12-6-4-5-11(10-12)17(25)23-18(27)24-19-22-16-14(28-19)8-7-13(20)15(16)21/h4-8,10H,2-3,9H2,1H3,(H2,22,23,24,25,27)