N'-(4-methylpyridin-2-yl)-N-[2-(2-prop-2-enoxyethylsulfanyl)-1,3-benzothiazol-6-yl]butanediamide

Systemtic Name: N'-(4-methylpyridin-2-yl)-N-[2-(2-prop-2-enoxyethylsulfanyl)-1,3-benzothiazol-6-yl]butanediamide Openeye Name: N-[2-(2-allyloxyethylsulfanyl)-1,3-benzothiazol-6-yl]-N'-(4-methyl-2-pyridyl)butanediamide CAS Name: N'-(4-methyl-2-pyridinyl)-N-[2-(2-prop-2-enoxyethylthio)-1,3-benzothiazol-6-yl]butanediamide IUPAC Name: N'-(4-methylpyridin-2-yl)-N-[2-(2-prop-2-enoxyethylsulfanyl)-1,3-benzothiazol-6-yl]butanediamide Traditional Name: N-[2-(2-allyloxyethylthio)-1,3-benzothiazol-6-yl]-N'-(4-methyl-2-pyridyl)succinamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=O)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCOCC=C

Isomeric SMILES

CC1=CC(=NC=C1)NC(=O)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCOCC=C

InChI

InChI=1S/C22H24N4O3S2/c1-3-10-29-11-12-30-22-25-17-5-4-16(14-18(17)31-22)24-20(27)6-7-21(28)26-19-13-15(2)8-9-23-19/h3-5,8-9,13-14H,1,6-7,10-12H2,2H3,(H,24,27)(H,23,26,28)