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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[1-(m-tolylmethyl)indol-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[1-[(3-methylphenyl)methyl]-3-indolyl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[1-(3-methylbenzyl)indol-3-yl]thio]acetamide Formula: C25H21N3OS2 MolecularWeight: 443.58374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3OS2/c1-17-7-6-8-18(13-17)14-28-15-23(19-9-2-4-11-21(19)28)30-16-24(29)27-25-26-20-10-3-5-12-22(20)31-25/h2-13,15H,14,16H2,1H3,(H,26,27,29)