ethyl 4,5-dimethyl-2-[[4-(phenylmethyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[[4-(phenylmethyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(4-benzylpiperazine-1-carbothioyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H27N3O2S2 MolecularWeight: 417.58798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S2/c1-4-26-20(25)18-15(2)16(3)28-19(18)22-21(27)24-12-10-23(11-13-24)14-17-8-6-5-7-9-17/h5-9H,4,10-14H2,1-3H3,(H,22,27)