N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-imidazol-1-yl)propanamide

Systemtic Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-imidazol-1-yl)propanamide Openeye Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-imidazol-1-yl)propanamide CAS Name: N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-1-imidazolyl)propanamide IUPAC Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitroimidazol-1-yl)propanamide Traditional Name: 3-(2-methyl-4-nitro-imidazol-1-yl)-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C22H21N5O4S2 MolecularWeight: 483.56324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O4S2/c1-14-23-20(27(29)30)12-26(14)10-9-21(28)24-16-7-8-17-19(11-16)33-22(25-17)32-13-15-5-3-4-6-18(15)31-2/h3-8,11-12H,9-10,13H2,1-2H3,(H,24,28)