2-[2-[oxidanyl-[1-(10H-phenothiazin-2-yl)ethyl]carbamoyl]phenyl]benzoic acid

Systemtic Name: 2-[2-[oxidanyl-[1-(10H-phenothiazin-2-yl)ethyl]carbamoyl]phenyl]benzoic acid Openeye Name: 2-[2-[hydroxy-[1-(10H-phenothiazin-2-yl)ethyl]carbamoyl]phenyl]benzoic acid CAS Name: 2-[2-[[hydroxy-[1-(10H-phenothiazin-2-yl)ethyl]amino]-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[2-[hydroxy-[1-(10H-phenothiazin-2-yl)ethyl]carbamoyl]phenyl]benzoic acid Traditional Name: 2-[2-[hydroxy-[1-(10H-phenothiazin-2-yl)ethyl]carbamoyl]phenyl]benzoic acid Formula: C28H22N2O4S MolecularWeight: 482.55028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SC3=CC=CC=C3N2)N(C(=O)C4=CC=CC=C4C5=CC=CC=C5C(=O)O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)SC3=CC=CC=C3N2)N(C(=O)C4=CC=CC=C4C5=CC=CC=C5C(=O)O)O

InChI

InChI=1S/C28H22N2O4S/c1-17(18-14-15-26-24(16-18)29-23-12-6-7-13-25(23)35-26)30(34)27(31)21-10-4-2-8-19(21)20-9-3-5-11-22(20)28(32)33/h2-17,29,34H,1H3,(H,32,33)