2-diethylaminoethyl 4-[(3-ethylphenyl)carbamothioylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(3-ethylphenyl)carbamothioylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(3-ethylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(3-ethylanilino)-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(3-ethylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-ethylphenyl)thiocarbamoylamino]benzoic acid 2-diethylaminoethyl ester Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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