[8-iodanyl-1-methyl-5-phenyl-2-[2-(thiophen-2-ylcarbonylamino)ethyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-yl] thiophene-2-carboxylate

Systemtic Name: [8-iodanyl-1-methyl-5-phenyl-2-[2-(thiophen-2-ylcarbonylamino)ethyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-yl] thiophene-2-carboxylate Openeye Name: [8-iodo-1-methyl-5-phenyl-2-[2-(thiophene-2-carbonylamino)ethyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [8-iodo-1-methyl-2-[2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]-5-phenyl-3,4-dihydro-2H-1,4-benzodiazepin-5-yl] ester IUPAC Name: [8-iodo-1-methyl-5-phenyl-2-[2-(thiophene-2-carbonylamino)ethyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [8-iodo-1-methyl-5-phenyl-2-[2-(2-thenoylamino)ethyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-yl] ester Formula: C28H26IN3O3S2 MolecularWeight: 643.55881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(CNC(C2=C1C=C(C=C2)I)(C3=CC=CC=C3)OC(=O)C4=CC=CS4)CCNC(=O)C5=CC=CS5

Isomeric SMILES

CN1C(CNC(C2=C1C=C(C=C2)I)(C3=CC=CC=C3)OC(=O)C4=CC=CS4)CCNC(=O)C5=CC=CS5

InChI

InChI=1S/C28H26IN3O3S2/c1-32-21(13-14-30-26(33)24-9-5-15-36-24)18-31-28(19-7-3-2-4-8-19,22-12-11-20(29)17-23(22)32)35-27(34)25-10-6-16-37-25/h2-12,15-17,21,31H,13-14,18H2,1H3,(H,30,33)