N-[6-[2-(1-adamantyl)ethanoylcarbamothioylamino]-1,3-benzothiazol-2-yl]butanamide

Systemtic Name: N-[6-[2-(1-adamantyl)ethanoylcarbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[[2-(1-adamantyl)acetyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[[2-(1-adamantyl)acetyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]-1,3-benzothiazol-2-yl]butyramide Formula: C24H30N4O2S2 MolecularWeight: 470.6506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N4O2S2/c1-2-3-20(29)28-23-26-18-5-4-17(9-19(18)32-23)25-22(31)27-21(30)13-24-10-14-6-15(11-24)8-16(7-14)12-24/h4-5,9,14-16H,2-3,6-8,10-13H2,1H3,(H,26,28,29)(H2,25,27,30,31)