N-(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-4-[(4-fluorophenyl)methylsulfanyl]-1-(1-methylpyrrol-2-yl)carbonyl-piperidine-2-carboxamide

Systemtic Name: N-(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-4-[(4-fluorophenyl)methylsulfanyl]-1-(1-methylpyrrol-2-yl)carbonyl-piperidine-2-carboxamide Openeye Name: N-(1-carbamoyl-3-methyl-butyl)-4-[(4-fluorophenyl)methylsulfanyl]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxamide CAS Name: N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[(4-fluorophenyl)methylthio]-1-[(1-methyl-2-pyrrolyl)-oxomethyl]-2-piperidinecarboxamide IUPAC Name: N-(1-amino-4-methyl-1-oxopentan-2-yl)-4-[(4-fluorophenyl)methylsulfanyl]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxamide Traditional Name: N-(1-carbamoyl-3-methyl-butyl)-4-[(4-fluorobenzyl)thio]-1-(1-methylpyrrole-2-carbonyl)pipecolinamide Formula: C25H33FN4O3S MolecularWeight: 488.617923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C1CC(CCN1C(=O)C2=CC=CN2C)SCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CC(C(=O)N)NC(=O)C1CC(CCN1C(=O)C2=CC=CN2C)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C25H33FN4O3S/c1-16(2)13-20(23(27)31)28-24(32)22-14-19(34-15-17-6-8-18(26)9-7-17)10-12-30(22)25(33)21-5-4-11-29(21)3/h4-9,11,16,19-20,22H,10,12-15H2,1-3H3,(H2,27,31)(H,28,32)