2-diethylaminoethyl 4-(phenylcarbamothioylamino)benzoate

Systemtic Name: 2-diethylaminoethyl 4-(phenylcarbamothioylamino)benzoate Openeye Name: 2-diethylaminoethyl 4-(phenylcarbamothioylamino)benzoate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-(phenylcarbamothioylamino)benzoate Traditional Name: 4-(phenylthiocarbamoylamino)benzoic acid 2-diethylaminoethyl ester Formula: C20H25N3O2S MolecularWeight: 371.4964

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=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S/c1-3-23(4-2)14-15-25-19(24)16-10-12-18(13-11-16)22-20(26)21-17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3,(H2,21,22,26)