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

Systemtic Name: 3-(2-methyl-4-nitro-imidazol-1-yl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-imidazol-1-yl)propanamide CAS Name: 3-(2-methyl-4-nitro-1-imidazolyl)-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(2-methyl-4-nitroimidazol-1-yl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-imidazol-1-yl)propionamide Formula: C19H23N5O3S3 MolecularWeight: 465.61262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O3S3/c1-12(2)28-8-9-29-19-22-15-5-4-14(10-16(15)30-19)21-18(25)6-7-23-11-17(24(26)27)20-13(23)3/h4-5,10-12H,6-9H2,1-3H3,(H,21,25)