butyl 2-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(3-ethoxybenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(3-ethoxybenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-ethoxybenzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S2/c1-3-5-11-29-20(27)15-9-10-17-18(13-15)31-22(23-17)25-21(30)24-19(26)14-7-6-8-16(12-14)28-4-2/h6-10,12-13H,3-5,11H2,1-2H3,(H2,23,24,25,26,30)