propyl 4-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C17H18ClN3O4S2 MolecularWeight: 427.92552

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C17H18ClN3O4S2/c1-2-9-25-13(23)8-7-12(22)19-17(26)21-20-16(24)15-14(18)10-5-3-4-6-11(10)27-15/h3-6H,2,7-9H2,1H3,(H,20,24)(H2,19,21,22,26)