ethyl 4-[[3-(dimethylamino)-2,2-dimethyl-propyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[3-(dimethylamino)-2,2-dimethyl-propyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[3-(dimethylamino)-2,2-dimethyl-propyl]carbamothioylamino]benzoate CAS Name: 4-[[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamothioylamino]benzoate Traditional Name: 4-[[3-(dimethylamino)-2,2-dimethyl-propyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H27N3O2S MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC(C)(C)CN(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC(C)(C)CN(C)C

InChI

InChI=1S/C17H27N3O2S/c1-6-22-15(21)13-7-9-14(10-8-13)19-16(23)18-11-17(2,3)12-20(4)5/h7-10H,6,11-12H2,1-5H3,(H2,18,19,23)