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

Systemtic Name: 2-diethylaminoethyl 4-[(phenylmethyl)carbamothioylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-(benzylcarbamothioylamino)benzoate CAS Name: 4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-(benzylcarbamothioylamino)benzoate Traditional Name: 4-(benzylthiocarbamoylamino)benzoic acid 2-diethylaminoethyl ester Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O2S/c1-3-24(4-2)14-15-26-20(25)18-10-12-19(13-11-18)23-21(27)22-16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3,(H2,22,23,27)