methyl 4-[2-[[4-(diethylamino)phenyl]carbonylcarbamothioylamino]-1,3-thiazol-4-yl]benzoate

Systemtic Name: methyl 4-[2-[[4-(diethylamino)phenyl]carbonylcarbamothioylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[[4-(diethylamino)benzoyl]carbamothioylamino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[[[[4-(diethylamino)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[4-(diethylamino)benzoyl]carbamothioylamino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[[4-(diethylamino)benzoyl]thiocarbamoylamino]thiazol-4-yl]benzoic acid methyl ester Formula: C23H24N4O3S2 MolecularWeight: 468.59166

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H24N4O3S2/c1-4-27(5-2)18-12-10-16(11-13-18)20(28)25-22(31)26-23-24-19(14-32-23)15-6-8-17(9-7-15)21(29)30-3/h6-14H,4-5H2,1-3H3,(H2,24,25,26,28,31)