tert-butyl N-[3-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylhydrazinyl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylhydrazinyl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazino]-3-oxo-propyl]carbamate CAS Name: N-[3-[[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]hydrazo]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-3-oxopropyl]carbamate Traditional Name: N-[3-[N'-[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]hydrazino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C23H27N5O4S/c1-23(2,3)32-22(31)24-13-12-19(29)27-28-20(30)16-10-8-15(9-11-16)14-33-21-25-17-6-4-5-7-18(17)26-21/h4-11H,12-14H2,1-3H3,(H,24,31)(H,25,26)(H,27,29)(H,28,30)