ethyl 3-(3-imidazol-1-ylpropylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-(3-imidazol-1-ylpropylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(3-imidazol-1-ylpropylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 3-[[[3-(1-imidazolyl)propylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-imidazol-1-ylpropylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 3-(3-imidazol-1-ylpropylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid ethyl ester Formula: C18H24N4O2S2 MolecularWeight: 392.53876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)CCCC2)NC(=S)NCCCN3C=CN=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)CCCC2)NC(=S)NCCCN3C=CN=C3

InChI

InChI=1S/C18H24N4O2S2/c1-2-24-17(23)16-15(13-6-3-4-7-14(13)26-16)21-18(25)20-8-5-10-22-11-9-19-12-22/h9,11-12H,2-8,10H2,1H3,(H2,20,21,25)