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

Systemtic Name: N-[6-[2-(2-methylphenoxy)ethanoylcarbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[[[2-(2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[[2-(2-methylphenoxy)acetyl]thiocarbamoylamino]-1,3-benzothiazol-2-yl]butyramide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3C

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3C

InChI

InChI=1S/C21H22N4O3S2/c1-3-6-18(26)25-21-23-15-10-9-14(11-17(15)30-21)22-20(29)24-19(27)12-28-16-8-5-4-7-13(16)2/h4-5,7-11H,3,6,12H2,1-2H3,(H,23,25,26)(H2,22,24,27,29)