N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-chloranyl-4-ethoxy-benzamide

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-chloranyl-4-ethoxy-benzamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-chloro-4-ethoxy-benzamide CAS Name: 3-chloro-4-ethoxy-N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-chloro-4-ethoxybenzamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-3-chloro-4-ethoxy-benzamide Formula: C21H21ClN4O3S2 MolecularWeight: 476.99944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCC)Cl

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCC)Cl

InChI

InChI=1S/C21H21ClN4O3S2/c1-3-5-18(27)25-21-24-15-8-7-13(11-17(15)31-21)23-20(30)26-19(28)12-6-9-16(29-4-2)14(22)10-12/h6-11H,3-5H2,1-2H3,(H,24,25,27)(H2,23,26,28,30)