3-(2-aminophenyl)sulfanyl-2-(2,6-dimethylheptan-4-yloxy)benzo[b]phenalen-7-one

Systemtic Name: 3-(2-aminophenyl)sulfanyl-2-(2,6-dimethylheptan-4-yloxy)benzo[b]phenalen-7-one Openeye Name: 3-(2-aminophenyl)sulfanyl-2-(1-isobutyl-3-methyl-butoxy)benzo[b]phenalen-7-one CAS Name: 3-[(2-aminophenyl)thio]-2-(2,6-dimethylheptan-4-yloxy)-7-benzo[b]phenalenone IUPAC Name: 3-(2-aminophenyl)sulfanyl-2-(2,6-dimethylheptan-4-yloxy)benzo[b]phenalen-7-one Traditional Name: 3-[(2-aminophenyl)thio]-2-(1-isobutyl-3-methyl-butoxy)benzo[b]phenalen-7-one Formula: C32H33NO2S MolecularWeight: 495.67492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C)C)OC1=C(C2=C3C(=CC=C2)C(=O)C4=CC=CC=C4C3=C1)SC5=CC=CC=C5N

Isomeric SMILES

CC(C)CC(CC(C)C)OC1=C(C2=C3C(=CC=C2)C(=O)C4=CC=CC=C4C3=C1)SC5=CC=CC=C5N

InChI

InChI=1S/C32H33NO2S/c1-19(2)16-21(17-20(3)4)35-28-18-26-22-10-5-6-11-23(22)31(34)24-12-9-13-25(30(24)26)32(28)36-29-15-8-7-14-27(29)33/h5-15,18-21H,16-17,33H2,1-4H3