N-(3-chlorophenyl)-4-methyl-2-(9-pyrazin-2-ylnonyl)-2H-1,3-benzothiazole-3-carbothioamide

Systemtic Name: N-(3-chlorophenyl)-4-methyl-2-(9-pyrazin-2-ylnonyl)-2H-1,3-benzothiazole-3-carbothioamide Openeye Name: N-(3-chlorophenyl)-4-methyl-2-(9-pyrazin-2-ylnonyl)-2H-1,3-benzothiazole-3-carbothioamide CAS Name: N-(3-chlorophenyl)-4-methyl-2-[9-(2-pyrazinyl)nonyl]-2H-1,3-benzothiazole-3-carbothioamide IUPAC Name: N-(3-chlorophenyl)-4-methyl-2-(9-pyrazin-2-ylnonyl)-2H-1,3-benzothiazole-3-carbothioamide Traditional Name: N-(3-chlorophenyl)-4-methyl-2-(9-pyrazin-2-ylnonyl)-2H-1,3-benzothiazole-3-carbothioamide Formula: C28H33ClN4S2 MolecularWeight: 525.17142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(N2C(=S)NC3=CC(=CC=C3)Cl)CCCCCCCCCC4=NC=CN=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(N2C(=S)NC3=CC(=CC=C3)Cl)CCCCCCCCCC4=NC=CN=C4

InChI

InChI=1S/C28H33ClN4S2/c1-21-11-9-15-25-27(21)33(28(34)32-23-14-10-12-22(29)19-23)26(35-25)16-8-6-4-2-3-5-7-13-24-20-30-17-18-31-24/h9-12,14-15,17-20,26H,2-8,13,16H2,1H3,(H,32,34)