N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propanamide

Systemtic Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propanamide Openeye Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propanamide CAS Name: N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-3-(2-methyl-1-imidazolyl)propanamide IUPAC Name: N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propanamide Traditional Name: N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propionamide Formula: C20H26N4O2S2 MolecularWeight: 418.57604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(C)(C)OC

Isomeric SMILES

CC1=NC=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(C)(C)OC

InChI

InChI=1S/C20H26N4O2S2/c1-14-21-9-11-24(14)10-7-18(25)22-15-5-6-16-17(13-15)28-19(23-16)27-12-8-20(2,3)26-4/h5-6,9,11,13H,7-8,10,12H2,1-4H3,(H,22,25)