propan-2-yl 2-[(4-methoxyphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-[(4-methoxyphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[(4-methoxybenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-methoxybenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(p-anisoylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C20H19N3O4S2 MolecularWeight: 429.51256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H19N3O4S2/c1-11(2)27-18(25)13-6-9-15-16(10-13)29-20(21-15)23-19(28)22-17(24)12-4-7-14(26-3)8-5-12/h4-11H,1-3H3,(H2,21,22,23,24,28)