butyl 2-(3-methylbutanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-(3-methylbutanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-(3-methylbutanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-(3-methylbutanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(isovalerylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C18H23N3O3S2 MolecularWeight: 393.52352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C18H23N3O3S2/c1-4-5-8-24-16(23)12-6-7-13-14(10-12)26-18(19-13)21-17(25)20-15(22)9-11(2)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H2,19,20,21,22,25)