N-[6-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-1,3-benzothiazol-2-yl]butanamide

Systemtic Name: N-[6-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]-1,3-benzothiazol-2-yl]butyramide Formula: C20H19ClN4O2S2 MolecularWeight: 446.97346

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN4O2S2/c1-2-3-17(26)25-20-23-15-9-8-14(11-16(15)29-20)22-19(28)24-18(27)10-12-4-6-13(21)7-5-12/h4-9,11H,2-3,10H2,1H3,(H,23,25,26)(H2,22,24,27,28)