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methyl 4-[3-(dimethylamino)propylcarbamothioylamino]benzoate

methyl 4-[3-(dimethylamino)propylcarbamothioylamino]benzoate

Systemtic Name:methyl 4-[3-(dimethylamino)propylcarbamothioylamino]benzoate
Openeye Name:methyl 4-[3-(dimethylamino)propylcarbamothioylamino]benzoate
CAS Name:4-[[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester
IUPAC Name:methyl 4-[3-(dimethylamino)propylcarbamothioylamino]benzoate
Traditional Name:4-[3-(dimethylamino)propylthiocarbamoylamino]benzoic acid methyl ester
Formula: C14H21N3O2S
MolecularWeight: 295.40044
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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=S)NC1=CC=C(C=C1)C(=O)OC


Isomeric SMILES

CN(C)CCCNC(=S)NC1=CC=C(C=C1)C(=O)OC


InChI

InChI=1S/C14H21N3O2S/c1-17(2)10-4-9-15-14(20)16-12-7-5-11(6-8-12)13(18)19-3/h5-8H,4,9-10H2,1-3H3,(H2,15,16,20)


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