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

Systemtic Name: N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[4-(4-methoxyphenyl)thiazol-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[4-(4-methoxyphenyl)thiazol-2-yl]thiocarbamoyl]-4-pyrrolidinosulfonyl-benzamide Formula: C22H22N4O4S3 MolecularWeight: 502.62948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22N4O4S3/c1-30-17-8-4-15(5-9-17)19-14-32-22(23-19)25-21(31)24-20(27)16-6-10-18(11-7-16)33(28,29)26-12-2-3-13-26/h4-11,14H,2-3,12-13H2,1H3,(H2,23,24,25,27,31)