N-(3-chloranyl-4-methoxy-phenyl)-2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-(7-oxobenzo[a]phenalen-3-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetamide Formula: C26H18ClNO3S MolecularWeight: 459.94402

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H18ClNO3S/c1-31-22-11-9-15(13-21(22)27)28-24(29)14-32-23-12-10-17-16-5-2-3-6-18(16)26(30)20-8-4-7-19(23)25(17)20/h2-13H,14H2,1H3,(H,28,29)