(phenylmethyl) N-[3-(1H-indol-3-yl)-1-[(4-iodanyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[3-(1H-indol-3-yl)-1-[(4-iodanyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[1-(1H-indol-3-ylmethyl)-2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl]carbamate CAS Name: N-[3-(1H-indol-3-yl)-1-(4-iodo-2-methylanilino)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-(1H-indol-3-yl)-1-(4-iodo-2-methylanilino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-(1H-indol-3-ylmethyl)-2-(4-iodo-2-methyl-anilino)-2-keto-ethyl]carbamic acid benzyl ester Formula: C26H24IN3O3 MolecularWeight: 553.39153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H24IN3O3/c1-17-13-20(27)11-12-22(17)29-25(31)24(14-19-15-28-23-10-6-5-9-21(19)23)30-26(32)33-16-18-7-3-2-4-8-18/h2-13,15,24,28H,14,16H2,1H3,(H,29,31)(H,30,32)