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

Systemtic Name: butyl 2-[(3-propan-2-yloxyphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(3-isopropoxybenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[oxo-(3-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(3-propan-2-yloxybenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-isopropoxybenzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S2/c1-4-5-11-29-21(28)16-9-10-18-19(13-16)32-23(24-18)26-22(31)25-20(27)15-7-6-8-17(12-15)30-14(2)3/h6-10,12-14H,4-5,11H2,1-3H3,(H2,24,25,26,27,31)