1-[3-[(3-methylsulfanylphenyl)carbamoylamino]-1-pyrazin-2-ylcarbonyl-pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxamide

Systemtic Name: 1-[3-[(3-methylsulfanylphenyl)carbamoylamino]-1-pyrazin-2-ylcarbonyl-pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxamide Openeye Name: 1-[3-[(3-methylsulfanylphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide CAS Name: 1-[[3-[[[3-(methylthio)anilino]-oxomethyl]amino]-1-[oxo(2-pyrazinyl)methyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[3-[(3-methylsulfanylphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide Traditional Name: 1-[3-[[3-(methylthio)phenyl]carbamoylamino]-1-pyrazinoyl-prolyl]pyrrolidine-2-carboxamide Formula: C23H27N7O4S MolecularWeight: 497.56998

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NC2CCN(C2C(=O)N3CCCC3C(=O)N)C(=O)C4=NC=CN=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)NC2CCN(C2C(=O)N3CCCC3C(=O)N)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C23H27N7O4S/c1-35-15-5-2-4-14(12-15)27-23(34)28-16-7-11-30(21(32)17-13-25-8-9-26-17)19(16)22(33)29-10-3-6-18(29)20(24)31/h2,4-5,8-9,12-13,16,18-19H,3,6-7,10-11H2,1H3,(H2,24,31)(H2,27,28,34)