propyl N-[1-[2-[(4-azanylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclobutylsulfanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: propyl N-[1-[2-[(4-azanylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclobutylsulfanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: propyl N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-cyclobutylsulfanyl-2-methyl-propyl]carbamate CAS Name: N-[1-[2-[[(4-aminocyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-(cyclobutylthio)-3-methyl-1-oxobutan-2-yl]carbamic acid propyl ester IUPAC Name: propyl N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclobutylsulfanyl-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-(cyclobutylthio)-2-methyl-propyl]carbamic acid propyl ester Formula: C25H44N4O4S MolecularWeight: 496.70626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)N)C(C)(C)SC3CCC3

Isomeric SMILES

CCCOC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)N)C(C)(C)SC3CCC3

InChI

InChI=1S/C25H44N4O4S/c1-4-15-33-24(32)28-21(25(2,3)34-19-7-5-8-19)23(31)29-14-6-9-20(29)22(30)27-16-17-10-12-18(26)13-11-17/h17-21H,4-16,26H2,1-3H3,(H,27,30)(H,28,32)