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

Systemtic Name: 3-phenylpropyl 4-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C23H22ClN3O4S2 MolecularWeight: 504.02148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O4S2/c24-20-16-10-4-5-11-17(16)33-21(20)22(30)26-27-23(32)25-18(28)12-13-19(29)31-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11H,6,9,12-14H2,(H,26,30)(H2,25,27,28,32)