2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[1-[(2,5-dimethylphenyl)methyl]-3-indolyl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[[1-(2,5-dimethylbenzyl)indol-3-yl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C27H25N3OS2 MolecularWeight: 471.6369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=NC5=C(S4)C=C(C=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=NC5=C(S4)C=C(C=C5)C

InChI

InChI=1S/C27H25N3OS2/c1-17-8-10-19(3)20(12-17)14-30-15-25(21-6-4-5-7-23(21)30)32-16-26(31)29-27-28-22-11-9-18(2)13-24(22)33-27/h4-13,15H,14,16H2,1-3H3,(H,28,29,31)