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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanyl-ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[1-(m-tolylmethyl)indol-3-yl]sulfanyl-acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[1-[(3-methylphenyl)methyl]-3-indolyl]thio]acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylacetamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[1-(3-methylbenzyl)indol-3-yl]thio]acetamide Formula: C26H23N3OS2 MolecularWeight: 457.61032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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