N-(3,4-dimethoxyphenyl)-2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-(7-oxobenzo[a]phenalen-3-yl)sulfanyl-acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetamide Formula: C27H21NO4S MolecularWeight: 455.52494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O)OC

InChI

InChI=1S/C27H21NO4S/c1-31-22-12-10-16(14-23(22)32-2)28-25(29)15-33-24-13-11-18-17-6-3-4-7-19(17)27(30)21-9-5-8-20(24)26(18)21/h3-14H,15H2,1-2H3,(H,28,29)