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

Systemtic Name: N-[6-(2-phenoxyethanoylcarbamothioylamino)-1,3-benzothiazol-2-yl]propanamide Openeye Name: N-[6-[(2-phenoxyacetyl)carbamothioylamino]-1,3-benzothiazol-2-yl]propanamide CAS Name: N-[6-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]propanamide IUPAC Name: N-[6-[(2-phenoxyacetyl)carbamothioylamino]-1,3-benzothiazol-2-yl]propanamide Traditional Name: N-[6-[(2-phenoxyacetyl)thiocarbamoylamino]-1,3-benzothiazol-2-yl]propionamide Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S2/c1-2-16(24)23-19-21-14-9-8-12(10-15(14)28-19)20-18(27)22-17(25)11-26-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,21,23,24)(H2,20,22,25,27)