ethyl 5-(phenylmethyl)-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(isopropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(isopropylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC(C)C

InChI

InChI=1S/C18H22N2O2S2/c1-4-22-17(21)15-11-14(10-13-8-6-5-7-9-13)24-16(15)20-18(23)19-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H2,19,20,23)