2-acetamido-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]pent-4-ynamide

Systemtic Name: 2-acetamido-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]pent-4-ynamide Openeye Name: 2-acetamido-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]pent-4-ynamide CAS Name: 2-acetamido-N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-4-pentynamide IUPAC Name: 2-acetamido-N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]pent-4-ynamide Traditional Name: 2-acetamido-N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]pent-4-ynamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC#C)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC(C)(C)OC

Isomeric SMILES

CC(=O)NC(CC#C)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC(C)(C)OC

InChI

InChI=1S/C20H25N3O3S2/c1-6-7-16(21-13(2)24)18(25)22-14-8-9-15-17(12-14)28-19(23-15)27-11-10-20(3,4)26-5/h1,8-9,12,16H,7,10-11H2,2-5H3,(H,21,24)(H,22,25)