3-phenylpropyl 5-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C24H24ClN3O4S2 MolecularWeight: 518.04806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN3O4S2/c25-21-17-11-4-5-12-18(17)34-22(21)23(31)27-28-24(33)26-19(29)13-6-14-20(30)32-15-7-10-16-8-2-1-3-9-16/h1-5,8-9,11-12H,6-7,10,13-15H2,(H,27,31)(H2,26,28,29,33)