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

Systemtic Name: methyl 5-(phenylmethyl)-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(isopropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(isopropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2S2/c1-11(2)18-17(22)19-15-14(16(20)21-3)10-13(23-15)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H2,18,19,22)