2-[4-[bis(phenylmethyl)amino]-1,3-benzothiazol-2-yl]butanedioic acid

Systemtic Name: 2-[4-[bis(phenylmethyl)amino]-1,3-benzothiazol-2-yl]butanedioic acid Openeye Name: 2-[4-(dibenzylamino)-1,3-benzothiazol-2-yl]butanedioic acid CAS Name: 2-[4-[bis(phenylmethyl)amino]-1,3-benzothiazol-2-yl]butanedioic acid IUPAC Name: 2-[4-(dibenzylamino)-1,3-benzothiazol-2-yl]butanedioic acid Traditional Name: 2-[4-(dibenzylamino)-1,3-benzothiazol-2-yl]succinic acid Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C4C(=CC=C3)SC(=N4)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C4C(=CC=C3)SC(=N4)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C25H22N2O4S/c28-22(29)14-19(25(30)31)24-26-23-20(12-7-13-21(23)32-24)27(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-13,19H,14-16H2,(H,28,29)(H,30,31)