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

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-chloranyl-4-methyl-benzamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-chloro-4-methyl-benzamide CAS Name: 3-chloro-4-methyl-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-methylbenzamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-3-chloro-4-methyl-benzamide Formula: C20H19ClN4O2S2 MolecularWeight: 446.97346

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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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O2S2/c1-3-4-17(26)24-20-23-15-8-7-13(10-16(15)29-20)22-19(28)25-18(27)12-6-5-11(2)14(21)9-12/h5-10H,3-4H2,1-2H3,(H,23,24,26)(H2,22,25,27,28)