N-[4-[[10-(2-chloranyl-5-nitro-phenyl)sulfanylanthracen-9-yl]methylamino]phenyl]ethanamide

Systemtic Name: N-[4-[[10-(2-chloranyl-5-nitro-phenyl)sulfanylanthracen-9-yl]methylamino]phenyl]ethanamide Openeye Name: N-[4-[[10-(2-chloro-5-nitro-phenyl)sulfanyl-9-anthryl]methylamino]phenyl]acetamide CAS Name: N-[4-[[10-[(2-chloro-5-nitrophenyl)thio]-9-anthracenyl]methylamino]phenyl]acetamide IUPAC Name: N-[4-[[10-(2-chloro-5-nitrophenyl)sulfanylanthracen-9-yl]methylamino]phenyl]acetamide Traditional Name: N-[4-[[10-[(2-chloro-5-nitro-phenyl)thio]-9-anthryl]methylamino]phenyl]acetamide Formula: C29H22ClN3O3S MolecularWeight: 528.02128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NCC2=C3C=CC=CC3=C(C4=CC=CC=C42)SC5=C(C=CC(=C5)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NCC2=C3C=CC=CC3=C(C4=CC=CC=C42)SC5=C(C=CC(=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C29H22ClN3O3S/c1-18(34)32-20-12-10-19(11-13-20)31-17-26-22-6-2-4-8-24(22)29(25-9-5-3-7-23(25)26)37-28-16-21(33(35)36)14-15-27(28)30/h2-16,31H,17H2,1H3,(H,32,34)