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

Systemtic Name: tert-butyl N-[1-(1H-indol-3-yl)-3-oxidanylidene-5-(2-oxidanylidene-3H-benzimidazol-1-yl)-5-sulfanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(1H-indol-3-ylmethyl)-2-oxo-4-(2-oxo-3H-benzimidazol-1-yl)-4-thioxo-butyl]carbamate CAS Name: N-[1-(1H-indol-3-yl)-3-oxo-5-(2-oxo-3H-benzimidazol-1-yl)-5-sulfanylidenepentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(1H-indol-3-yl)-3-oxo-5-(2-oxo-3H-benzimidazol-1-yl)-5-sulfanylidenepentan-2-yl]carbamate Traditional Name: N-[1-(1H-indol-3-ylmethyl)-2-keto-4-(2-keto-3H-benzimidazol-1-yl)-4-thioxo-butyl]carbamic acid tert-butyl ester Formula: C25H26N4O4S MolecularWeight: 478.56334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)CC(=S)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)CC(=S)N3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C25H26N4O4S/c1-25(2,3)33-24(32)28-19(12-15-14-26-17-9-5-4-8-16(15)17)21(30)13-22(34)29-20-11-7-6-10-18(20)27-23(29)31/h4-11,14,19,26H,12-13H2,1-3H3,(H,27,31)(H,28,32)