N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(2-pyrrolidin-1-ylethylsulfanyl)benzamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(2-pyrrolidin-1-ylethylsulfanyl)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(2-pyrrolidin-1-ylethylsulfanyl)benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[2-(1-pyrrolidinyl)ethylthio]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(2-pyrrolidin-1-ylethylsulfanyl)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(2-pyrrolidinoethylthio)benzamide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)SCCN2CCCC2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)SCCN2CCCC2

InChI

InChI=1S/C21H30N4O2S/c1-16(2)15-19(21(27)23-10-9-22)24-20(26)17-5-7-18(8-6-17)28-14-13-25-11-3-4-12-25/h5-8,16,19H,3-4,10-15H2,1-2H3,(H,23,27)(H,24,26)