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

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-ethyl-benzamide CAS Name: 4-ethyl-N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-4-ethyl-benzamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S2/c1-3-5-18(26)24-21-23-16-11-10-15(12-17(16)29-21)22-20(28)25-19(27)14-8-6-13(4-2)7-9-14/h6-12H,3-5H2,1-2H3,(H,23,24,26)(H2,22,25,27,28)