3-(2-chloranylphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine; 2-oxidanyl-4-(phenylcarbonyl)benzoic acid

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine; 2-oxidanyl-4-(phenylcarbonyl)benzoic acid Openeye Name: 4-benzoyl-2-hydroxy-benzoic acid; 3-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine CAS Name: 4-benzoyl-2-hydroxybenzoic acid; 3-(2-chloro-10-phenothiazinyl)-N,N-dimethyl-1-propanamine IUPAC Name: 4-benzoyl-2-hydroxybenzoic acid; 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine Traditional Name: 4-benzoyl-2-hydroxy-benzoic acid; 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-amine Formula: C31H29ClN2O4S MolecularWeight: 561.09096

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)C(=O)O)O

Isomeric SMILES

CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)C(=O)O)O

InChI

InChI=1S/C17H19ClN2S.C14H10O4/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;15-12-8-10(6-7-11(12)14(17)18)13(16)9-4-2-1-3-5-9/h3-4,6-9,12H,5,10-11H2,1-2H3;1-8,15H,(H,17,18)