2-diethylaminoethyl 4-(butylcarbamothioylamino)benzoate

Systemtic Name: 2-diethylaminoethyl 4-(butylcarbamothioylamino)benzoate Openeye Name: 2-diethylaminoethyl 4-(butylcarbamothioylamino)benzoate CAS Name: 4-[[butylamino(sulfanylidene)methyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-(butylcarbamothioylamino)benzoate Traditional Name: 4-(butylthiocarbamoylamino)benzoic acid 2-diethylaminoethyl ester Formula: C18H29N3O2S MolecularWeight: 351.50676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2S/c1-4-7-12-19-18(24)20-16-10-8-15(9-11-16)17(22)23-14-13-21(5-2)6-3/h8-11H,4-7,12-14H2,1-3H3,(H2,19,20,24)