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

Systemtic Name: methyl 5-(phenylmethyl)-2-(propylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(propylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[propylamino(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(propylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(propylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O2S2 MolecularWeight: 348.4829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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