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

Systemtic Name: phenethyl 4-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C22H20ClN3O4S2 MolecularWeight: 489.9949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H20ClN3O4S2/c23-19-15-8-4-5-9-16(15)32-20(19)21(29)25-26-22(31)24-17(27)10-11-18(28)30-13-12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,25,29)(H2,24,26,27,31)