3-[[[4-[ethyl(methyl)amino]-2-methyl-phenyl]-pyrrolidin-1-ylcarbothioylsulfanyl-carbamoyl]amino]propyl prop-2-enoate

Systemtic Name: 3-[[[4-[ethyl(methyl)amino]-2-methyl-phenyl]-pyrrolidin-1-ylcarbothioylsulfanyl-carbamoyl]amino]propyl prop-2-enoate Openeye Name: 3-[[[4-[ethyl(methyl)amino]-2-methyl-phenyl]-(pyrrolidine-1-carbothioylsulfanyl)carbamoyl]amino]propyl prop-2-enoate CAS Name: 2-propenoic acid 3-[[[4-[ethyl(methyl)amino]-2-methyl-N-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]anilino]-oxomethyl]amino]propyl ester IUPAC Name: 3-[[[4-[ethyl(methyl)amino]-2-methylphenyl]-(pyrrolidine-1-carbothioylsulfanyl)carbamoyl]amino]propyl prop-2-enoate Traditional Name: acrylic acid 3-[[[4-[ethyl(methyl)amino]-2-methyl-phenyl]-(pyrrolidine-1-carbothioylthio)carbamoyl]amino]propyl ester Formula: C22H32N4O3S2 MolecularWeight: 464.64448

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C1=CC(=C(C=C1)N(C(=O)NCCCOC(=O)C=C)SC(=S)N2CCCC2)C

Isomeric SMILES

CCN(C)C1=CC(=C(C=C1)N(C(=O)NCCCOC(=O)C=C)SC(=S)N2CCCC2)C

InChI

InChI=1S/C22H32N4O3S2/c1-5-20(27)29-15-9-12-23-21(28)26(31-22(30)25-13-7-8-14-25)19-11-10-18(16-17(19)3)24(4)6-2/h5,10-11,16H,1,6-9,12-15H2,2-4H3,(H,23,28)