2-diethylaminoethyl 4-[(4-ethylphenyl)carbamothioylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(4-ethylphenyl)carbamothioylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(4-ethylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-ethylanilino)-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(4-ethylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-ethylphenyl)thiocarbamoylamino]benzoic acid 2-diethylaminoethyl ester Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC

InChI

InChI=1S/C22H29N3O2S/c1-4-17-7-11-19(12-8-17)23-22(28)24-20-13-9-18(10-14-20)21(26)27-16-15-25(5-2)6-3/h7-14H,4-6,15-16H2,1-3H3,(H2,23,24,28)