N-[2-[[(2S)-2-cyano-3,3-dimethyl-4-pentanethioyl-pyrrolidin-1-yl]amino]-2-oxidanylidene-ethyl]-2-methoxy-benzamide

Systemtic Name: N-[2-[[(2S)-2-cyano-3,3-dimethyl-4-pentanethioyl-pyrrolidin-1-yl]amino]-2-oxidanylidene-ethyl]-2-methoxy-benzamide Openeye Name: N-[2-[[(2S)-2-cyano-3,3-dimethyl-4-pentanethioyl-pyrrolidin-1-yl]amino]-2-oxo-ethyl]-2-methoxy-benzamide CAS Name: N-[2-[[(2S)-2-cyano-3,3-dimethyl-4-(1-sulfanylidenepentyl)-1-pyrrolidinyl]amino]-2-oxoethyl]-2-methoxybenzamide IUPAC Name: N-[2-[[(2S)-2-cyano-3,3-dimethyl-4-pentanethioylpyrrolidin-1-yl]amino]-2-oxoethyl]-2-methoxybenzamide Traditional Name: N-[2-[[(2S)-2-cyano-3,3-dimethyl-4-pentanethioyl-pyrrolidino]amino]-2-keto-ethyl]-2-methoxy-benzamide Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=S)C1CN(C(C1(C)C)C#N)NC(=O)CNC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CCCCC(=S)C1CN([C@@H](C1(C)C)C#N)NC(=O)CNC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C22H30N4O3S/c1-5-6-11-18(30)16-14-26(19(12-23)22(16,2)3)25-20(27)13-24-21(28)15-9-7-8-10-17(15)29-4/h7-10,16,19H,5-6,11,13-14H2,1-4H3,(H,24,28)(H,25,27)/t16?,19-/m1/s1