1-cyano-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]cyclopropane-1-carboxamide

Systemtic Name: 1-cyano-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]cyclopropane-1-carboxamide Openeye Name: 1-cyano-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]cyclopropanecarboxamide CAS Name: 1-cyano-N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-1-cyclopropanecarboxamide IUPAC Name: 1-cyano-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]cyclopropane-1-carboxamide Traditional Name: 1-cyano-N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]cyclopropanecarboxamide Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)CCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4(CC4)C#N

Isomeric SMILES

C1COC(OC1)CCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4(CC4)C#N

InChI

InChI=1S/C18H19N3O3S2/c19-11-18(5-6-18)16(22)20-12-2-3-13-14(10-12)26-17(21-13)25-9-4-15-23-7-1-8-24-15/h2-3,10,15H,1,4-9H2,(H,20,22)