tert-butyl N-[1-azanyl-1,4-bis(oxidanylidene)-6-(2-oxidanylidene-3H-benzimidazol-1-yl)-6-sulfanylidene-5-(9H-xanthen-9-yl)hexan-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-azanyl-1,4-bis(oxidanylidene)-6-(2-oxidanylidene-3H-benzimidazol-1-yl)-6-sulfanylidene-5-(9H-xanthen-9-yl)hexan-3-yl]carbamate Openeye Name: tert-butyl N-[1-(2-amino-2-oxo-ethyl)-2-oxo-4-(2-oxo-3H-benzimidazol-1-yl)-4-thioxo-3-(9H-xanthen-9-yl)butyl]carbamate CAS Name: N-[1-amino-1,4-dioxo-6-(2-oxo-3H-benzimidazol-1-yl)-6-sulfanylidene-5-(9H-xanthen-9-yl)hexan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-amino-1,4-dioxo-6-(2-oxo-3H-benzimidazol-1-yl)-6-sulfanylidene-5-(9H-xanthen-9-yl)hexan-3-yl]carbamate Traditional Name: N-[1-(2-amino-2-keto-ethyl)-2-keto-4-(2-keto-3H-benzimidazol-1-yl)-4-thioxo-3-(9H-xanthen-9-yl)butyl]carbamic acid tert-butyl ester Formula: C31H30N4O6S MolecularWeight: 586.6581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)N)C(=O)C(C1C2=CC=CC=C2OC3=CC=CC=C13)C(=S)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)N)C(=O)C(C1C2=CC=CC=C2OC3=CC=CC=C13)C(=S)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C31H30N4O6S/c1-31(2,3)41-30(39)34-20(16-24(32)36)27(37)26(28(42)35-21-13-7-6-12-19(21)33-29(35)38)25-17-10-4-8-14-22(17)40-23-15-9-5-11-18(23)25/h4-15,20,25-26H,16H2,1-3H3,(H2,32,36)(H,33,38)(H,34,39)