[4-[(4-ethyl-3-methoxycarbonyl-5-methyl-thiophen-2-yl)carbamothioylamino]phenyl]sulfonyl-(6-methoxypyrimidin-4-yl)azanide

Systemtic Name: [4-[(4-ethyl-3-methoxycarbonyl-5-methyl-thiophen-2-yl)carbamothioylamino]phenyl]sulfonyl-(6-methoxypyrimidin-4-yl)azanide Openeye Name: [4-[(4-ethyl-3-methoxycarbonyl-5-methyl-2-thienyl)carbamothioylamino]phenyl]sulfonyl-(6-methoxypyrimidin-4-yl)azanide CAS Name: [4-[[[(4-ethyl-3-methoxycarbonyl-5-methyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]phenyl]sulfonyl-(6-methoxy-4-pyrimidinyl)azanide IUPAC Name: [4-[(4-ethyl-3-methoxycarbonyl-5-methylthiophen-2-yl)carbamothioylamino]phenyl]sulfonyl-(6-methoxypyrimidin-4-yl)azanide Traditional Name: [4-[(3-carbomethoxy-4-ethyl-5-methyl-2-thienyl)thiocarbamoylamino]phenyl]sulfonyl-(6-methoxypyrimidin-4-yl)azanide Formula: C21H22N5O5S3- MolecularWeight: 520.62488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=CC(=NC=N3)OC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=CC(=NC=N3)OC)C

InChI

InChI=1S/C21H23N5O5S3/c1-5-15-12(2)33-19(18(15)20(27)31-4)25-21(32)24-13-6-8-14(9-7-13)34(28,29)26-16-10-17(30-3)23-11-22-16/h6-11H,5H2,1-4H3,(H3,22,23,24,25,26,27,32)/p-1