2-[(7-tert-butyl-1,3-benzothiazol-2-yl)sulfanyl]-N-methyl-N'-prop-2-enyl-butanediamide

Systemtic Name: 2-[(7-tert-butyl-1,3-benzothiazol-2-yl)sulfanyl]-N-methyl-N'-prop-2-enyl-butanediamide Openeye Name: N'-allyl-2-[(7-tert-butyl-1,3-benzothiazol-2-yl)sulfanyl]-N-methyl-butanediamide CAS Name: 2-[(7-tert-butyl-1,3-benzothiazol-2-yl)thio]-N-methyl-N'-prop-2-enylbutanediamide IUPAC Name: 2-[(7-tert-butyl-1,3-benzothiazol-2-yl)sulfanyl]-N-methyl-N'-prop-2-enylbutanediamide Traditional Name: N'-allyl-2-[(7-tert-butyl-1,3-benzothiazol-2-yl)thio]-N-methyl-succinamide Formula: C19H25N3O2S2 MolecularWeight: 391.5507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=CC=C1)N=C(S2)SC(CC(=O)NCC=C)C(=O)NC

Isomeric SMILES

CC(C)(C)C1=C2C(=CC=C1)N=C(S2)SC(CC(=O)NCC=C)C(=O)NC

InChI

InChI=1S/C19H25N3O2S2/c1-6-10-21-15(23)11-14(17(24)20-5)25-18-22-13-9-7-8-12(16(13)26-18)19(2,3)4/h6-9,14H,1,10-11H2,2-5H3,(H,20,24)(H,21,23)