methyl 5-ethyl-2-[(4-propylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[(4-propylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(4-propylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(4-propyl-1-piperazinyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(4-propylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(4-propylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C16H25N3O2S2 MolecularWeight: 355.5186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=S)NC2=C(C=C(S2)CC)C(=O)OC

Isomeric SMILES

CCCN1CCN(CC1)C(=S)NC2=C(C=C(S2)CC)C(=O)OC

InChI

InChI=1S/C16H25N3O2S2/c1-4-6-18-7-9-19(10-8-18)16(22)17-14-13(15(20)21-3)11-12(5-2)23-14/h11H,4-10H2,1-3H3,(H,17,22)