N-[6-(butanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]butanamide

Systemtic Name: N-[6-(butanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-(butanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-(butanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-(butyrylthiocarbamoylamino)-1,3-benzothiazol-2-yl]butyramide Formula: C16H20N4O2S2 MolecularWeight: 364.4856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2S2/c1-3-5-13(21)19-15(23)17-10-7-8-11-12(9-10)24-16(18-11)20-14(22)6-4-2/h7-9H,3-6H2,1-2H3,(H,18,20,22)(H2,17,19,21,23)