methyl 2-[3-(dimethylamino)propylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(dimethylamino)propylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(dimethylamino)propylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(dimethylamino)propylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(dimethylamino)propylthiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C16H25N3O2S2 MolecularWeight: 355.5186

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC

Isomeric SMILES

CN(C)CCCNC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OC

InChI

InChI=1S/C16H25N3O2S2/c1-19(2)10-6-9-17-16(22)18-14-13(15(20)21-3)11-7-4-5-8-12(11)23-14/h4-10H2,1-3H3,(H2,17,18,22)