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

Systemtic Name: N-[6-(2-phenylethanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[(2-phenylacetyl)carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[(2-phenylacetyl)carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[(2-phenylacetyl)thiocarbamoylamino]-1,3-benzothiazol-2-yl]butyramide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O2S2/c1-2-6-17(25)24-20-22-15-10-9-14(12-16(15)28-20)21-19(27)23-18(26)11-13-7-4-3-5-8-13/h3-5,7-10,12H,2,6,11H2,1H3,(H,22,24,25)(H2,21,23,26,27)