N,N-diethyl-1-phenothiazin-10-yl-propan-2-amine; 2-(4-hydroxyphenyl)carbonylbenzoic acid

Systemtic Name: N,N-diethyl-1-phenothiazin-10-yl-propan-2-amine; 2-(4-hydroxyphenyl)carbonylbenzoic acid Openeye Name: N,N-diethyl-1-phenothiazin-10-yl-propan-2-amine; 2-(4-hydroxybenzoyl)benzoic acid CAS Name: N,N-diethyl-1-(10-phenothiazinyl)-2-propanamine; 2-[(4-hydroxyphenyl)-oxomethyl]benzoic acid IUPAC Name: N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine; 2-(4-hydroxybenzoyl)benzoic acid Traditional Name: diethyl-(1-methyl-2-phenothiazin-10-yl-ethyl)amine; 2-(4-hydroxybenzoyl)benzoic acid Formula: C33H34N2O4S MolecularWeight: 554.69906

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31.C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

CCN(CC)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31.C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C19H24N2S.C14H10O4/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21;15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h6-13,15H,4-5,14H2,1-3H3;1-8,15H,(H,17,18)