2-diethylaminoethyl 4-(ethylcarbamothioylamino)benzoate

Systemtic Name: 2-diethylaminoethyl 4-(ethylcarbamothioylamino)benzoate Openeye Name: 2-diethylaminoethyl 4-(ethylcarbamothioylamino)benzoate CAS Name: 4-[[ethylamino(sulfanylidene)methyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-(ethylcarbamothioylamino)benzoate Traditional Name: 4-(ethylthiocarbamoylamino)benzoic acid 2-diethylaminoethyl ester Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=CC=C(C=C1)C(=O)OCCN(CC)CC

Isomeric SMILES

CCNC(=S)NC1=CC=C(C=C1)C(=O)OCCN(CC)CC

InChI

InChI=1S/C16H25N3O2S/c1-4-17-16(22)18-14-9-7-13(8-10-14)15(20)21-12-11-19(5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H2,17,18,22)