1-[2-[4-[(6-oxidanylidene-11,12-dihydrobenzo[c][1]benzazocin-5-yl)methyl]phenyl]phenyl]sulfonyl-3-(2-thiophen-2-ylethyl)urea

Systemtic Name: 1-[2-[4-[(6-oxidanylidene-11,12-dihydrobenzo[c][1]benzazocin-5-yl)methyl]phenyl]phenyl]sulfonyl-3-(2-thiophen-2-ylethyl)urea Openeye Name: 1-[2-[4-[(6-oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)methyl]phenyl]phenyl]sulfonyl-3-[2-(2-thienyl)ethyl]urea CAS Name: 1-[2-[4-[(6-oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)methyl]phenyl]phenyl]sulfonyl-3-(2-thiophen-2-ylethyl)urea IUPAC Name: 1-[2-[4-[(6-oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)methyl]phenyl]phenyl]sulfonyl-3-(2-thiophen-2-ylethyl)urea Traditional Name: 1-[2-[4-[(6-keto-11,12-dihydrobenzo[c][1]benzazocin-5-yl)methyl]phenyl]phenyl]sulfonyl-3-[2-(2-thienyl)ethyl]urea Formula: C35H31N3O4S2 MolecularWeight: 621.76834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C3=CC=CC=C31)CC4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)NC(=O)NCCC6=CC=CS6

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C3=CC=CC=C31)CC4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)NC(=O)NCCC6=CC=CS6

InChI

InChI=1S/C35H31N3O4S2/c39-34-31-12-3-1-8-26(31)19-20-28-9-2-5-13-32(28)38(34)24-25-15-17-27(18-16-25)30-11-4-6-14-33(30)44(41,42)37-35(40)36-22-21-29-10-7-23-43-29/h1-18,23H,19-22,24H2,(H2,36,37,40)