N-(4-azanyl-4-oxidanylidene-butyl)-3-[(3-methylsulfanylphenyl)carbamoylamino]-1-pyrazin-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanyl-4-oxidanylidene-butyl)-3-[(3-methylsulfanylphenyl)carbamoylamino]-1-pyrazin-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-amino-4-oxo-butyl)-3-[(3-methylsulfanylphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-amino-4-oxobutyl)-3-[[[3-(methylthio)anilino]-oxomethyl]amino]-1-[oxo(2-pyrazinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-amino-4-oxobutyl)-3-[(3-methylsulfanylphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-amino-4-keto-butyl)-3-[[3-(methylthio)phenyl]carbamoylamino]-1-pyrazinoyl-pyrrolidine-2-carboxamide Formula: C22H27N7O4S MolecularWeight: 485.55928

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NC2CCN(C2C(=O)NCCCC(=O)N)C(=O)C3=NC=CN=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)NC2CCN(C2C(=O)NCCCC(=O)N)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C22H27N7O4S/c1-34-15-5-2-4-14(12-15)27-22(33)28-16-7-11-29(21(32)17-13-24-9-10-25-17)19(16)20(31)26-8-3-6-18(23)30/h2,4-5,9-10,12-13,16,19H,3,6-8,11H2,1H3,(H2,23,30)(H,26,31)(H2,27,28,33)