ethyl 3-(cyclohexylcarbamothioylamino)-4-(ethylamino)benzoate

Systemtic Name: ethyl 3-(cyclohexylcarbamothioylamino)-4-(ethylamino)benzoate Openeye Name: ethyl 3-(cyclohexylcarbamothioylamino)-4-(ethylamino)benzoate CAS Name: 3-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-4-(ethylamino)benzoic acid ethyl ester IUPAC Name: ethyl 3-(cyclohexylcarbamothioylamino)-4-(ethylamino)benzoate Traditional Name: 3-(cyclohexylthiocarbamoylamino)-4-(ethylamino)benzoic acid ethyl ester Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC)NC(=S)NC2CCCCC2

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC)NC(=S)NC2CCCCC2

InChI

InChI=1S/C18H27N3O2S/c1-3-19-15-11-10-13(17(22)23-4-2)12-16(15)21-18(24)20-14-8-6-5-7-9-14/h10-12,14,19H,3-9H2,1-2H3,(H2,20,21,24)