1-[1-(3-methylbut-2-enoyl)-3-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxamide

Systemtic Name: 1-[1-(3-methylbut-2-enoyl)-3-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxamide Openeye Name: 1-[1-(3-methylbut-2-enoyl)-3-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide CAS Name: 1-[[1-(3-methyl-1-oxobut-2-enyl)-3-[[[3-(methylthio)anilino]-oxomethyl]amino]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[1-(3-methylbut-2-enoyl)-3-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide Traditional Name: 1-[1-(3-methylbut-2-enoyl)-3-[[3-(methylthio)phenyl]carbamoylamino]prolyl]pyrrolidine-2-carboxamide Formula: C23H31N5O4S MolecularWeight: 473.58834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCC(C1C(=O)N2CCCC2C(=O)N)NC(=O)NC3=CC(=CC=C3)SC)C

Isomeric SMILES

CC(=CC(=O)N1CCC(C1C(=O)N2CCCC2C(=O)N)NC(=O)NC3=CC(=CC=C3)SC)C

InChI

InChI=1S/C23H31N5O4S/c1-14(2)12-19(29)28-11-9-17(20(28)22(31)27-10-5-8-18(27)21(24)30)26-23(32)25-15-6-4-7-16(13-15)33-3/h4,6-7,12-13,17-18,20H,5,8-11H2,1-3H3,(H2,24,30)(H2,25,26,32)