N-[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methyl-benzamide

Systemtic Name: N-[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methyl-benzamide Openeye Name: N-[2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methyl-benzamide CAS Name: N-[2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-methylbenzamide IUPAC Name: N-[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-methylbenzamide Traditional Name: N-[2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-methyl-benzamide Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4CC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4CC4

InChI

InChI=1S/C20H19N3O2S2/c1-12-4-2-3-5-15(12)19(25)22-14-8-9-16-17(10-14)27-20(23-16)26-11-18(24)21-13-6-7-13/h2-5,8-10,13H,6-7,11H2,1H3,(H,21,24)(H,22,25)