tert-butyl N-[1-(1H-imidazol-5-yl)-3-oxidanylidene-5-(2-oxidanylidene-3H-benzimidazol-1-yl)-4-(phenylmethyl)-5-sulfanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(1H-imidazol-5-yl)-3-oxidanylidene-5-(2-oxidanylidene-3H-benzimidazol-1-yl)-4-(phenylmethyl)-5-sulfanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[3-benzyl-1-(1H-imidazol-5-ylmethyl)-2-oxo-4-(2-oxo-3H-benzimidazol-1-yl)-4-thioxo-butyl]carbamate CAS Name: N-[1-(1H-imidazol-5-yl)-3-oxo-5-(2-oxo-3H-benzimidazol-1-yl)-4-(phenylmethyl)-5-sulfanylidenepentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-benzyl-1-(1H-imidazol-5-yl)-3-oxo-5-(2-oxo-3H-benzimidazol-1-yl)-5-sulfanylidenepentan-2-yl]carbamate Traditional Name: N-[3-benzyl-1-(1H-imidazol-5-ylmethyl)-2-keto-4-(2-keto-3H-benzimidazol-1-yl)-4-thioxo-butyl]carbamic acid tert-butyl ester Formula: C27H29N5O4S MolecularWeight: 519.61526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)C(CC2=CC=CC=C2)C(=S)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)C(CC2=CC=CC=C2)C(=S)N3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C27H29N5O4S/c1-27(2,3)36-26(35)31-21(14-18-15-28-16-29-18)23(33)19(13-17-9-5-4-6-10-17)24(37)32-22-12-8-7-11-20(22)30-25(32)34/h4-12,15-16,19,21H,13-14H2,1-3H3,(H,28,29)(H,30,34)(H,31,35)