tert-butyl N-[1-[4-(2-azanylidene-2-chloranyl-ethanimidoyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[1-[4-(2-azanylidene-2-chloranyl-ethanimidoyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[1-[4-(2-chloro-2-imino-ethanimidoyl)piperazine-1-carbonyl]propyl]-N-methyl-carbamate CAS Name: N-[1-[4-(2-chloro-1,2-diiminoethyl)-1-piperazinyl]-1-oxobutan-2-yl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[4-(2-chloro-2-iminoethanimidoyl)piperazin-1-yl]-1-oxobutan-2-yl]-N-methylcarbamate Traditional Name: N-[1-[4-(2-chloro-2-imino-acetimidoyl)piperazine-1-carbonyl]propyl]-N-methyl-carbamic acid tert-butyl ester Formula: C16H28ClN5O3 MolecularWeight: 373.87822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C(=N)C(=N)Cl)N(C)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)C(=N)C(=N)Cl)N(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H28ClN5O3/c1-6-11(20(5)15(24)25-16(2,3)4)14(23)22-9-7-21(8-10-22)13(19)12(17)18/h11,18-19H,6-10H2,1-5H3