3,3-dimethyl-N-[4-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]butanamide

Systemtic Name: 3,3-dimethyl-N-[4-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]butanamide Openeye Name: 3,3-dimethyl-N-[4-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]butanamide CAS Name: 3,3-dimethyl-N-[4-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[4-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylphenyl]butanamide Traditional Name: N-[4-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]phenyl]-3,3-dimethyl-butyramide Formula: C26H26N2O2S2 MolecularWeight: 462.62684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC=C(C=C1)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC=C(C=C1)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C26H26N2O2S2/c1-26(2,3)16-24(29)27-18-12-14-19(15-13-18)31-17-25(30)28-20-8-4-6-10-22(20)32-23-11-7-5-9-21(23)28/h4-15H,16-17H2,1-3H3,(H,27,29)