propan-2-yl 2-(4-methylpentanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-(4-methylpentanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-(4-methylpentanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[(4-methyl-1-oxopentyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(4-methylpentanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-methylpentanoylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C18H23N3O3S2 MolecularWeight: 393.52352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NC(=S)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CC(C)CCC(=O)NC(=S)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC(C)C

InChI

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