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

Systemtic Name: 2-diethylaminoethyl 4-[(2-methoxyphenyl)carbamothioylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(2-methoxyphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(2-methoxyphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-methoxyphenyl)thiocarbamoylamino]benzoic acid 2-diethylaminoethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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=CC=C2OC

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2OC

InChI

InChI=1S/C21H27N3O3S/c1-4-24(5-2)14-15-27-20(25)16-10-12-17(13-11-16)22-21(28)23-18-8-6-7-9-19(18)26-3/h6-13H,4-5,14-15H2,1-3H3,(H2,22,23,28)