tert-butyl N-[[3-(dimethylamino)-3-oxidanylidene-propyl]-[(phenethylcarbamoylamino)carbamoyl]amino]carbamate

Systemtic Name: tert-butyl N-[[3-(dimethylamino)-3-oxidanylidene-propyl]-[(phenethylcarbamoylamino)carbamoyl]amino]carbamate Openeye Name: tert-butyl N-[[3-(dimethylamino)-3-oxo-propyl]-[(phenethylcarbamoylamino)carbamoyl]amino]carbamate CAS Name: N-[[3-(dimethylamino)-3-oxopropyl]-[oxo-[[oxo-(phenethylamino)methyl]hydrazo]methyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-(dimethylamino)-3-oxopropyl]-[(phenethylcarbamoylamino)carbamoyl]amino]carbamate Traditional Name: N-[[3-(dimethylamino)-3-keto-propyl]-[(phenethylcarbamoylamino)carbamoyl]amino]carbamic acid tert-butyl ester Formula: C20H32N6O5 MolecularWeight: 436.50528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(CCC(=O)N(C)C)C(=O)NNC(=O)NCCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NN(CCC(=O)N(C)C)C(=O)NNC(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C20H32N6O5/c1-20(2,3)31-19(30)24-26(14-12-16(27)25(4)5)18(29)23-22-17(28)21-13-11-15-9-7-6-8-10-15/h6-10H,11-14H2,1-5H3,(H,23,29)(H,24,30)(H2,21,22,28)