N-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-yl)-1-cyclohexanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=NC3=CC=CC=C3S2)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C(C1)C2=NC3=CC=CC=C3S2)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N2O3S/c24-20(22-13-9-10-17-18(11-13)26-12-25-17)14-5-1-2-6-15(14)21-23-16-7-3-4-8-19(16)27-21/h3-4,7-11,14-15H,1-2,5-6,12H2,(H,22,24)