ethyl 2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H30N4O4S3 MolecularWeight: 522.7037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C23H30N4O4S3/c1-3-31-22(28)20-18-6-4-5-7-19(18)33-21(20)25-23(32)24-16-8-10-17(11-9-16)34(29,30)27-14-12-26(2)13-15-27/h8-11H,3-7,12-15H2,1-2H3,(H2,24,25,32)