2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: 2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(3-methylisoxazol-5-yl)acetamide CAS Name: 2-(3-methyl-5-isoxazolyl)-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-2-(3-methylisoxazol-5-yl)acetamide Formula: C18H21N3O2S3 MolecularWeight: 407.57324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCSC(C)C

Isomeric SMILES

CC1=NOC(=C1)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCSC(C)C

InChI

InChI=1S/C18H21N3O2S3/c1-11(2)24-6-7-25-18-20-15-5-4-13(9-16(15)26-18)19-17(22)10-14-8-12(3)21-23-14/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,19,22)