3-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-ylmethyl)benzenecarbothioic S-acid

Systemtic Name: 3-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-ylmethyl)benzenecarbothioic S-acid Openeye Name: 3-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2-(thiazol-2-ylmethyl)benzenecarbothioic S-acid CAS Name: 3-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2-(2-thiazolylmethyl)benzenecarbothioic S-acid IUPAC Name: 3-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-ylmethyl)benzenecarbothioic S-acid Traditional Name: 3-[4-(4-cyclohexylbenzyl)oxyphenyl]-2-(thiazol-2-ylmethyl)thiobenzoic acid Formula: C30H29NO2S2 MolecularWeight: 499.68676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)COC3=CC=C(C=C3)C4=C(C(=CC=C4)C(=O)S)CC5=NC=CS5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)COC3=CC=C(C=C3)C4=C(C(=CC=C4)C(=O)S)CC5=NC=CS5

InChI

InChI=1S/C30H29NO2S2/c32-30(34)27-8-4-7-26(28(27)19-29-31-17-18-35-29)24-13-15-25(16-14-24)33-20-21-9-11-23(12-10-21)22-5-2-1-3-6-22/h4,7-18,22H,1-3,5-6,19-20H2,(H,32,34)