ethyl 2-[(4-tert-butylphenyl)carbonylcarbamothioylimino]-3,4-dimethyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(4-tert-butylphenyl)carbonylcarbamothioylimino]-3,4-dimethyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(4-tert-butylbenzoyl)carbamothioylimino]-3,4-dimethyl-thiazole-5-carboxylate CAS Name: 2-[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-tert-butylbenzoyl)carbamothioylimino]-3,4-dimethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-tert-butylbenzoyl)thiocarbamoylimino]-3,4-dimethyl-4-thiazoline-5-carboxylic acid ethyl ester Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)S1)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)S1)C)C

InChI

InChI=1S/C20H25N3O3S2/c1-7-26-17(25)15-12(2)23(6)19(28-15)22-18(27)21-16(24)13-8-10-14(11-9-13)20(3,4)5/h8-11H,7H2,1-6H3,(H,21,24,27)