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

Systemtic Name: 8-[[4-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[4-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C32H22N2O4S2 MolecularWeight: 562.65808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=CC=C(C=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=CC=C(C=C4)NC(=O)C5=CC=CC6=C5C(=CC=C6)C(=O)O

InChI

InChI=1S/C32H22N2O4S2/c35-29(34-25-11-1-3-13-27(25)40-28-14-4-2-12-26(28)34)19-39-22-17-15-21(16-18-22)33-31(36)23-9-5-7-20-8-6-10-24(30(20)23)32(37)38/h1-18H,19H2,(H,33,36)(H,37,38)