ethyl 2-[(4-butoxyphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(4-butoxyphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(4-butoxybenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-butoxybenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-butoxybenzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OCC

InChI

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