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

Systemtic Name: ethyl N-[1-[2-[(4-azanylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-ethylsulfanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: ethyl N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-ethylsulfanyl-2-methyl-propyl]carbamate CAS Name: N-[1-[2-[[(4-aminocyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-(ethylthio)-3-methyl-1-oxobutan-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-ethylsulfanyl-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-(ethylthio)-2-methyl-propyl]carbamic acid ethyl ester Formula: C22H40N4O4S MolecularWeight: 456.6424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)N)C(C)(C)SCC

Isomeric SMILES

CCOC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)N)C(C)(C)SCC

InChI

InChI=1S/C22H40N4O4S/c1-5-30-21(29)25-18(22(3,4)31-6-2)20(28)26-13-7-8-17(26)19(27)24-14-15-9-11-16(23)12-10-15/h15-18H,5-14,23H2,1-4H3,(H,24,27)(H,25,29)