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

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2-nitro-benzamide CAS Name: 2-nitro-N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-2-nitro-benzamide Formula: C19H17N5O4S2 MolecularWeight: 443.49938

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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=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O4S2/c1-2-5-16(25)22-19-21-13-9-8-11(10-15(13)30-19)20-18(29)23-17(26)12-6-3-4-7-14(12)24(27)28/h3-4,6-10H,2,5H2,1H3,(H,21,22,25)(H2,20,23,26,29)