methyl 4-[[4-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamothioyl]phenyl]carbothioylamino]-2-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-[[4-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamothioyl]phenyl]carbothioylamino]-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-[[4-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamothioyl]benzenecarbothioyl]amino]-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[[4-[[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)amino]-sulfanylidenemethyl]phenyl]-sulfanylidenemethyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[[4-[(4-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamothioyl]benzenecarbothioyl]amino]-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[[4-[(4-carbomethoxy-5-methyl-1H-pyrrol-3-yl)thiocarbamoyl]thiobenzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN1)NC(=S)C2=CC=C(C=C2)C(=S)NC3=CNC(=C3C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=CN1)NC(=S)C2=CC=C(C=C2)C(=S)NC3=CNC(=C3C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C22H22N4O4S2/c1-11-17(21(27)29-3)15(9-23-11)25-19(31)13-5-7-14(8-6-13)20(32)26-16-10-24-12(2)18(16)22(28)30-4/h5-10,23-24H,1-4H3,(H,25,31)(H,26,32)