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

Systemtic Name: 8-[[4-(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[1-(phenothiazine-10-carbonyl)propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[4-[[1-oxo-1-(10-phenothiazinyl)butan-2-yl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[1-(phenothiazine-10-carbonyl)propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C34H26N2O4S2 MolecularWeight: 590.71124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C34H26N2O4S2/c1-2-28(33(38)36-26-13-3-5-15-29(26)42-30-16-6-4-14-27(30)36)41-23-19-17-22(18-20-23)35-32(37)24-11-7-9-21-10-8-12-25(31(21)24)34(39)40/h3-20,28H,2H2,1H3,(H,35,37)(H,39,40)