5-[2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanoylamino]-4-cyano-N,N-diethyl-3-methyl-thiophene-2-carboxamide

Systemtic Name: 5-[2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanoylamino]-4-cyano-N,N-diethyl-3-methyl-thiophene-2-carboxamide Openeye Name: 5-[[2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]acetyl]amino]-4-cyano-N,N-diethyl-3-methyl-thiophene-2-carboxamide CAS Name: 5-[[2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-1-oxoethyl]amino]-4-cyano-N,N-diethyl-3-methyl-2-thiophenecarboxamide IUPAC Name: 5-[[2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide Traditional Name: 5-[[2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]acetyl]amino]-4-cyano-N,N-diethyl-3-methyl-thiophene-2-carboxamide Formula: C21H26BrN5O4S3 MolecularWeight: 588.56124

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)C#N)C

InChI

InChI=1S/C21H26BrN5O4S3/c1-4-26(5-2)21(29)19-14(3)15(12-23)20(33-19)24-17(28)13-25-8-10-27(11-9-25)34(30,31)18-7-6-16(22)32-18/h6-7H,4-5,8-11,13H2,1-3H3,(H,24,28)