4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoic acid; N-phenylaniline

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoic acid; N-phenylaniline Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoic acid; N-phenylaniline CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid; N-phenylaniline IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoic acid; N-phenylaniline Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid; diphenylamine Formula: C27H22N2O2S2 MolecularWeight: 470.60578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=CC=C2.C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=CC=C2.C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H11NO2S2.C12H11N/c17-14(18)11-7-5-10(6-8-11)9-19-15-16-12-3-1-2-4-13(12)20-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-8H,9H2,(H,17,18);1-10,13H