N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-4-methoxy-cyclohexane-1-carboxamide

Systemtic Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-4-methoxy-cyclohexane-1-carboxamide Openeye Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-4-methoxy-cyclohexanecarboxamide CAS Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-4-methoxy-1-cyclohexanecarboxamide IUPAC Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-4-methoxycyclohexane-1-carboxamide Traditional Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-4-methoxy-cyclohexanecarboxamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4OCCCO4

Isomeric SMILES

COC1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4OCCCO4

InChI

InChI=1S/C21H28N2O4S2/c1-25-16-6-3-14(4-7-16)20(24)22-15-5-8-17-18(13-15)29-21(23-17)28-12-9-19-26-10-2-11-27-19/h5,8,13-14,16,19H,2-4,6-7,9-12H2,1H3,(H,22,24)