methyl 2-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-tert-butylbenzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S2/c1-21(2,3)14-8-5-12(6-9-14)17(25)23-19(28)24-20-22-15-10-7-13(18(26)27-4)11-16(15)29-20/h5-11H,1-4H3,(H2,22,23,24,25,28)