tert-butyl N-[1-(2-azanyl-3-methanoyl-phenyl)-3-(4-carbamothioylphenyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(2-azanyl-3-methanoyl-phenyl)-3-(4-carbamothioylphenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-(2-amino-3-formyl-phenyl)-1-[(4-carbamothioylphenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[1-(2-amino-3-formylphenyl)-3-(4-carbamothioylphenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-amino-3-formylphenyl)-3-(4-carbamothioylphenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-(2-amino-3-formyl-phenyl)-2-keto-1-(4-thiocarbamoylbenzyl)ethyl]carbamic acid tert-butyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(=S)N)C(=O)C2=CC=CC(=C2N)C=O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(=S)N)C(=O)C2=CC=CC(=C2N)C=O

InChI

InChI=1S/C22H25N3O4S/c1-22(2,3)29-21(28)25-17(11-13-7-9-14(10-8-13)20(24)30)19(27)16-6-4-5-15(12-26)18(16)23/h4-10,12,17H,11,23H2,1-3H3,(H2,24,30)(H,25,28)