phenethyl 4-oxidanylidene-4-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[2-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[2-(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=CC=C2NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

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