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

Systemtic Name: propan-2-yl 2-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C20H18BrN3O4S2 MolecularWeight: 508.40862

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O4S2/c1-10(2)28-18(26)12-4-6-14-16(9-12)30-20(22-14)24-19(29)23-17(25)11-5-7-15(27-3)13(21)8-11/h4-10H,1-3H3,(H2,22,23,24,25,29)