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

Systemtic Name: 2-diethylaminoethyl 4-[(4-ethoxyphenyl)carbamothioylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(4-ethoxyphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(4-ethoxyphenyl)carbamothioylamino]benzoate Traditional Name: 4-(p-phenetylthiocarbamoylamino)benzoic acid 2-diethylaminoethyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC

InChI

InChI=1S/C22H29N3O3S/c1-4-25(5-2)15-16-28-21(26)17-7-9-18(10-8-17)23-22(29)24-19-11-13-20(14-12-19)27-6-3/h7-14H,4-6,15-16H2,1-3H3,(H2,23,24,29)