[2-[[3-(ethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [2-[[3-(ethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [2-[3-(ethylcarbamoyl)anilino]-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [2-[3-(ethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C18H23N3O4S2/c1-2-19-17(24)13-6-5-7-14(10-13)20-15(22)11-25-16(23)12-27-18(26)21-8-3-4-9-21/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,19,24)(H,20,22)