N-(2-azanyl-2-oxidanylidene-ethyl)-N-methyl-1-(1-methylpyrrol-2-yl)carbonyl-3-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-N-methyl-1-(1-methylpyrrol-2-yl)carbonyl-3-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-N-methyl-1-(1-methylpyrrole-2-carbonyl)-3-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-N-methyl-1-[(1-methyl-2-pyrrolyl)-oxomethyl]-3-[[[3-(methylthio)anilino]-oxomethyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-N-methyl-1-(1-methylpyrrole-2-carbonyl)-3-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-N-methyl-1-(1-methylpyrrole-2-carbonyl)-3-[[3-(methylthio)phenyl]carbamoylamino]pyrrolidine-2-carboxamide Formula: C22H28N6O4S MolecularWeight: 472.56052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CCC(C2C(=O)N(C)CC(=O)N)NC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCC(C2C(=O)N(C)CC(=O)N)NC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H28N6O4S/c1-26-10-5-8-17(26)20(30)28-11-9-16(19(28)21(31)27(2)13-18(23)29)25-22(32)24-14-6-4-7-15(12-14)33-3/h4-8,10,12,16,19H,9,11,13H2,1-3H3,(H2,23,29)(H2,24,25,32)