3-[4-[[(4-heptan-4-ylphenyl)-methyl-amino]methyl]phenyl]-2-(1,3-thiazol-2-ylmethyl)benzenecarbothioic S-acid

Systemtic Name: 3-[4-[[(4-heptan-4-ylphenyl)-methyl-amino]methyl]phenyl]-2-(1,3-thiazol-2-ylmethyl)benzenecarbothioic S-acid Openeye Name: 3-[4-[[N-methyl-4-(1-propylbutyl)anilino]methyl]phenyl]-2-(thiazol-2-ylmethyl)benzenecarbothioic S-acid CAS Name: 3-[4-[(4-heptan-4-yl-N-methylanilino)methyl]phenyl]-2-(2-thiazolylmethyl)benzenecarbothioic S-acid IUPAC Name: 3-[4-[(4-heptan-4-yl-N-methylanilino)methyl]phenyl]-2-(1,3-thiazol-2-ylmethyl)benzenecarbothioic S-acid Traditional Name: 3-[4-[[N-methyl-4-(1-propylbutyl)anilino]methyl]phenyl]-2-(thiazol-2-ylmethyl)thiobenzoic acid Formula: C32H36N2OS2 MolecularWeight: 528.77104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)N(C)CC2=CC=C(C=C2)C3=C(C(=CC=C3)C(=O)S)CC4=NC=CS4

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)N(C)CC2=CC=C(C=C2)C3=C(C(=CC=C3)C(=O)S)CC4=NC=CS4

InChI

InChI=1S/C32H36N2OS2/c1-4-7-24(8-5-2)25-15-17-27(18-16-25)34(3)22-23-11-13-26(14-12-23)28-9-6-10-29(32(35)36)30(28)21-31-33-19-20-37-31/h6,9-20,24H,4-5,7-8,21-22H2,1-3H3,(H,35,36)