ethyl 2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylcarbamothioylamino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylcarbamothioylamino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)carbamothioylamino]thiazole-4-carboxylate CAS Name: 2-[[[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-sulfanylidenemethyl]amino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)carbamothioylamino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(4-pyrrolidinosulfonylbenzoyl)thiocarbamoylamino]thiazole-4-carboxylic acid ethyl ester Formula: C18H20N4O5S3 MolecularWeight: 468.5702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H20N4O5S3/c1-2-27-16(24)14-11-29-18(19-14)21-17(28)20-15(23)12-5-7-13(8-6-12)30(25,26)22-9-3-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H2,19,20,21,23,28)