N-(5-acetamido-2-methyl-4-thianthren-5-ium-5-yl-phenyl)ethanamide

Systemtic Name: N-(5-acetamido-2-methyl-4-thianthren-5-ium-5-yl-phenyl)ethanamide Openeye Name: N-(5-acetamido-2-methyl-4-thianthren-5-ium-5-yl-phenyl)acetamide CAS Name: N-[5-acetamido-2-methyl-4-(5-thianthren-5-iumyl)phenyl]acetamide IUPAC Name: N-(5-acetamido-2-methyl-4-thianthren-5-ium-5-ylphenyl)acetamide Traditional Name: N-(5-acetamido-2-methyl-4-thianthren-5-ium-5-yl-phenyl)acetamide Formula: C23H21N2O2S2+ MolecularWeight: 421.55504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C)NC(=O)C)[S+]2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C)NC(=O)C)[S+]2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C23H20N2O2S2/c1-14-12-23(18(25-16(3)27)13-17(14)24-15(2)26)29-21-10-6-4-8-19(21)28-20-9-5-7-11-22(20)29/h4-13H,1-3H3,(H-,24,25,26,27)/p+1