tert-butyl N-[[3-(dimethylamino)-3-oxidanylidene-propyl]-[(E)-phenethylcarbamoyliminocarbamoyl]amino]carbamate

Systemtic Name: tert-butyl N-[[3-(dimethylamino)-3-oxidanylidene-propyl]-[(E)-phenethylcarbamoyliminocarbamoyl]amino]carbamate Openeye Name: tert-butyl N-[[3-(dimethylamino)-3-oxo-propyl]-[(E)-phenethylcarbamoyliminocarbamoyl]amino]carbamate CAS Name: N-[[3-(dimethylamino)-3-oxopropyl]-[oxo-[(E)-[oxo-(phenethylamino)methyl]azo]methyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-(dimethylamino)-3-oxopropyl]-[(E)-phenethylcarbamoyliminocarbamoyl]amino]carbamate Traditional Name: N-[[3-(dimethylamino)-3-keto-propyl]-[(E)-phenethylcarbamoyliminocarbamoyl]amino]carbamic acid tert-butyl ester Formula: C20H30N6O5 MolecularWeight: 434.4894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N6O5/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,21,28)(H,24,30)/b23-22+