8-[[4-(1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-(1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-(1-methyl-2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[4-[[1-oxo-1-(10-phenothiazinyl)propan-2-yl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[(2-keto-1-methyl-2-phenothiazin-10-yl-ethyl)thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C33H24N2O4S2 MolecularWeight: 576.68466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=CC=C(C=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=CC=C(C=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

InChI

InChI=1S/C33H24N2O4S2/c1-20(32(37)35-26-12-2-4-14-28(26)41-29-15-5-3-13-27(29)35)40-23-18-16-22(17-19-23)34-31(36)24-10-6-8-21-9-7-11-25(30(21)24)33(38)39/h2-20H,1H3,(H,34,36)(H,38,39)