ethyl 4-(1-adamantylmethylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(1-adamantylmethylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(1-adamantylmethylcarbamothioylamino)benzoate CAS Name: 4-[[(1-adamantylmethylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(1-adamantylmethylcarbamothioylamino)benzoate Traditional Name: 4-(1-adamantylmethylthiocarbamoylamino)benzoic acid ethyl ester Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N2O2S/c1-2-25-19(24)17-3-5-18(6-4-17)23-20(26)22-13-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,2,7-13H2,1H3,(H2,22,23,26)