methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C24H33N5O5S3 MolecularWeight: 567.74432

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)C(=O)OC)C

InChI

InChI=1S/C24H33N5O5S3/c1-6-28(7-2)22(30)20-16(3)19(23(31)34-5)21(36-20)26-24(35)25-17-8-10-18(11-9-17)37(32,33)29-14-12-27(4)13-15-29/h8-11H,6-7,12-15H2,1-5H3,(H2,25,26,35)