N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[4-(p-tolyl)thiazol-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[[4-(4-methylphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[4-(p-tolyl)thiazol-2-yl]thiocarbamoyl]-4-pyrrolidinosulfonyl-benzamide Formula: C22H22N4O3S3 MolecularWeight: 486.63008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22N4O3S3/c1-15-4-6-16(7-5-15)19-14-31-22(23-19)25-21(30)24-20(27)17-8-10-18(11-9-17)32(28,29)26-12-2-3-13-26/h4-11,14H,2-3,12-13H2,1H3,(H2,23,24,25,27,30)