N-[6-(2,3,4a,8a-tetrahydro-1,4-benzodioxin-6-ylcarbamothioylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[6-(2,3,4a,8a-tetrahydro-1,4-benzodioxin-6-ylcarbamothioylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Openeye Name: N-[6-(2,3,4a,8a-tetrahydro-1,4-benzodioxin-6-ylcarbamothioylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide CAS Name: N-[6-[[(2,3,4a,8a-tetrahydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide IUPAC Name: N-[6-(2,3,4a,8a-tetrahydro-1,4-benzodioxin-6-ylcarbamothioylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Traditional Name: N-[6-(2,3,4a,8a-tetrahydro-1,4-benzodioxin-6-ylthiocarbamoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=S)NC4=CC5C(C=C4)OCCO5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=S)NC4=CC5C(C=C4)OCCO5

InChI

InChI=1S/C23H26N4O3S2/c28-21(14-4-2-1-3-5-14)27-23-26-17-8-6-16(13-20(17)32-23)25-22(31)24-15-7-9-18-19(12-15)30-11-10-29-18/h6-9,12-14,18-19H,1-5,10-11H2,(H2,24,25,31)(H,26,27,28)