phenethyl 4-oxidanylidene-4-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid phenethyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4S/c28-21(12-13-22(29)31-17-14-18-6-2-1-3-7-18)26-24(32)25-20-10-8-19(9-11-20)23(30)27-15-4-5-16-27/h1-3,6-11H,4-5,12-17H2,(H2,25,26,28,32)