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

Systemtic Name: N-[6-(2-methylpropanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-(2-methylpropanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-(2-methylpropanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-(isobutyrylthiocarbamoylamino)-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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2S2/c1-4-5-13(21)19-16-18-11-7-6-10(8-12(11)24-16)17-15(23)20-14(22)9(2)3/h6-9H,4-5H2,1-3H3,(H,18,19,21)(H2,17,20,22,23)