methyl 5-phenyl-2-(propylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-(propylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-(propylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[propylamino(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-(propylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(propylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H18N2O2S2 MolecularWeight: 334.45632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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