3-(2-methylimidazol-1-yl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: 3-(2-methylimidazol-1-yl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Openeye Name: 3-(2-methylimidazol-1-yl)-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]propanamide CAS Name: 3-(2-methyl-1-imidazolyl)-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(2-methylimidazol-1-yl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Traditional Name: 3-(2-methylimidazol-1-yl)-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]propionamide Formula: C20H20N4OS3 MolecularWeight: 428.594

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4OS3/c1-14-21-7-9-24(14)8-4-19(25)22-16-2-3-17-18(12-16)28-20(23-17)27-11-6-15-5-10-26-13-15/h2-3,5,7,9-10,12-13H,4,6,8,11H2,1H3,(H,22,25)