2-[[6-(diphenylamino)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid

Systemtic Name: 2-[[6-(diphenylamino)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid Openeye Name: 2-[[6-(N-phenylanilino)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid CAS Name: 2-[[6-(N-phenylanilino)-1,3-benzothiazol-2-yl]thio]butanedioic acid IUPAC Name: 2-[[6-(N-phenylanilino)-1,3-benzothiazol-2-yl]sulfanyl]butanedioic acid Traditional Name: 2-[[6-(N-phenylanilino)-1,3-benzothiazol-2-yl]thio]succinic acid Formula: C23H18N2O4S2 MolecularWeight: 450.53002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N=C(S4)SC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N=C(S4)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C23H18N2O4S2/c26-21(27)14-20(22(28)29)31-23-24-18-12-11-17(13-19(18)30-23)25(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,20H,14H2,(H,26,27)(H,28,29)