ethyl 4-[[(2R)-2-(dimethylamino)-2-phenyl-ethyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(2R)-2-(dimethylamino)-2-phenyl-ethyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(2R)-2-(dimethylamino)-2-phenyl-ethyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-2-(dimethylamino)-2-phenylethyl]carbamothioylamino]benzoate Traditional Name: 4-[[(2R)-2-(dimethylamino)-2-phenyl-ethyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H25N3O2S MolecularWeight: 371.4964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC(C2=CC=CC=C2)N(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC[C@@H](C2=CC=CC=C2)N(C)C

InChI

InChI=1S/C20H25N3O2S/c1-4-25-19(24)16-10-12-17(13-11-16)22-20(26)21-14-18(23(2)3)15-8-6-5-7-9-15/h5-13,18H,4,14H2,1-3H3,(H2,21,22,26)/t18-/m0/s1