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

Systemtic Name: N-[6-(2-phenoxyethanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[(2-phenoxyacetyl)carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[(2-phenoxyacetyl)carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[(2-phenoxyacetyl)thiocarbamoylamino]-1,3-benzothiazol-2-yl]butyramide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3S2/c1-2-6-17(25)24-20-22-15-10-9-13(11-16(15)29-20)21-19(28)23-18(26)12-27-14-7-4-3-5-8-14/h3-5,7-11H,2,6,12H2,1H3,(H,22,24,25)(H2,21,23,26,28)