ethyl 2-[[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C24H29N3O4S2 MolecularWeight: 487.63476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)C(=O)C4CCCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)C(=O)[C@H]4CCCO4

InChI

InChI=1S/C24H29N3O4S2/c1-2-30-23(29)19-16-18(15-17-7-4-3-5-8-17)33-21(19)25-24(32)27-12-10-26(11-13-27)22(28)20-9-6-14-31-20/h3-5,7-8,16,20H,2,6,9-15H2,1H3,(H,25,32)/t20-/m1/s1