methyl 2-(2-dimethylaminoethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-dimethylaminoethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(2-dimethylaminoethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(2-dimethylaminoethylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(2-dimethylaminoethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(2-dimethylaminoethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H23N3O2S2 MolecularWeight: 377.52412

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CN(C)CCNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H23N3O2S2/c1-21(2)10-9-19-18(24)20-16-15(17(22)23-3)12-14(25-16)11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H2,19,20,24)