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

Systemtic Name: 3-(2-methyl-4-nitro-imidazol-1-yl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Openeye Name: 3-(2-methyl-4-nitro-imidazol-1-yl)-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]propanamide CAS Name: 3-(2-methyl-4-nitro-1-imidazolyl)-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(2-methyl-4-nitroimidazol-1-yl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Traditional Name: 3-(2-methyl-4-nitro-imidazol-1-yl)-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]propionamide Formula: C20H19N5O3S3 MolecularWeight: 473.59156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O3S3/c1-13-21-18(25(27)28)11-24(13)7-4-19(26)22-15-2-3-16-17(10-15)31-20(23-16)30-9-6-14-5-8-29-12-14/h2-3,5,8,10-12H,4,6-7,9H2,1H3,(H,22,26)