2-diethylaminoethyl 4-[(4-methoxyphenyl)methylcarbamothioylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(4-methoxyphenyl)methylcarbamothioylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(4-methoxyphenyl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(4-methoxyphenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-(p-anisylthiocarbamoylamino)benzoic acid 2-diethylaminoethyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-4-25(5-2)14-15-28-21(26)18-8-10-19(11-9-18)24-22(29)23-16-17-6-12-20(27-3)13-7-17/h6-13H,4-5,14-16H2,1-3H3,(H2,23,24,29)