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

Systemtic Name: propan-2-yl 2-[(3-iodanylphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[(3-iodobenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(3-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(3-iodobenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-iodobenzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C19H16IN3O3S2 MolecularWeight: 525.38311

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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(=CC=C3)I

Isomeric SMILES

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

InChI

InChI=1S/C19H16IN3O3S2/c1-10(2)26-17(25)12-6-7-14-15(9-12)28-19(21-14)23-18(27)22-16(24)11-4-3-5-13(20)8-11/h3-10H,1-2H3,(H2,21,22,23,24,27)