N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-imidazol-1-yl)propanamide

Systemtic Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-imidazol-1-yl)propanamide Openeye Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-imidazol-1-yl)propanamide CAS Name: N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-1-imidazolyl)propanamide IUPAC Name: N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitroimidazol-1-yl)propanamide Traditional Name: N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-imidazol-1-yl)propionamide Formula: C20H25N5O4S2 MolecularWeight: 463.5736

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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)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(C)(C)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4S2/c1-13-21-17(25(27)28)12-24(13)9-7-18(26)22-14-5-6-15-16(11-14)31-19(23-15)30-10-8-20(2,3)29-4/h5-6,11-12H,7-10H2,1-4H3,(H,22,26)