2-[4-[3-[(4-dimethylaminophenyl)carbamoyl-methyl-amino]phenyl]phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[4-[3-[(4-dimethylaminophenyl)carbamoyl-methyl-amino]phenyl]phenyl]sulfanylbenzoic acid Openeye Name: 2-[4-[3-[(4-dimethylaminophenyl)carbamoyl-methyl-amino]phenyl]phenyl]sulfanylbenzoic acid CAS Name: 2-[[4-[3-[[[4-(dimethylamino)anilino]-oxomethyl]-methylamino]phenyl]phenyl]thio]benzoic acid IUPAC Name: 2-[4-[3-[(4-dimethylaminophenyl)carbamoyl-methylamino]phenyl]phenyl]sulfanylbenzoic acid Traditional Name: 2-[[4-[3-[(4-dimethylaminophenyl)carbamoyl-methyl-amino]phenyl]phenyl]thio]benzoic acid Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)N(C)C2=CC=CC(=C2)C3=CC=C(C=C3)SC4=CC=CC=C4C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)N(C)C2=CC=CC(=C2)C3=CC=C(C=C3)SC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C29H27N3O3S/c1-31(2)23-15-13-22(14-16-23)30-29(35)32(3)24-8-6-7-21(19-24)20-11-17-25(18-12-20)36-27-10-5-4-9-26(27)28(33)34/h4-19H,1-3H3,(H,30,35)(H,33,34)