3-phenylpropyl 5-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[5-(butanoylamino)-2-chlorophenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(5-butyramido-2-chloro-phenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C25H30ClN3O4S MolecularWeight: 504.0414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C25H30ClN3O4S/c1-2-8-22(30)27-19-14-15-20(26)21(17-19)28-25(34)29-23(31)12-6-13-24(32)33-16-7-11-18-9-4-3-5-10-18/h3-5,9-10,14-15,17H,2,6-8,11-13,16H2,1H3,(H,27,30)(H2,28,29,31,34)