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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[1-[(2,5-dimethylphenyl)methyl]-3-indolyl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[1-(2,5-dimethylbenzyl)indol-3-yl]thio]acetamide Formula: C26H23N3OS2 MolecularWeight: 457.61032

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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=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H23N3OS2/c1-17-11-12-18(2)19(13-17)14-29-15-24(20-7-3-5-9-22(20)29)31-16-25(30)28-26-27-21-8-4-6-10-23(21)32-26/h3-13,15H,14,16H2,1-2H3,(H,27,28,30)