2-diethylaminoethyl 4-[(2,4-dimethylphenyl)carbamothioylamino]benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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