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

Systemtic Name: methyl 5-phenyl-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(isopropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-(propan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(isopropylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C16H18N2O2S2 MolecularWeight: 334.45632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S2/c1-10(2)17-16(21)18-14-12(15(19)20-3)9-13(22-14)11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,17,18,21)