ethyl 2-[[4-(diethylamino)phenyl]carbamothioyl-(phenylmethyl)amino]ethanoate

Systemtic Name: ethyl 2-[[4-(diethylamino)phenyl]carbamothioyl-(phenylmethyl)amino]ethanoate Openeye Name: ethyl 2-[benzyl-[[4-(diethylamino)phenyl]carbamothioyl]amino]acetate CAS Name: 2-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]-(phenylmethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzyl-[[4-(diethylamino)phenyl]carbamothioyl]amino]acetate Traditional Name: 2-[benzyl-[[4-(diethylamino)phenyl]thiocarbamoyl]amino]acetic acid ethyl ester Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC(=O)OCC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC(=O)OCC

InChI

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