N-(4-ethoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: N-(4-ethoxyphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: N-(4-ethoxyphenyl)-2-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[[2-(4-methylpiperazino)acetyl]amino]-N-p-phenetyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C25H34N4O3S MolecularWeight: 470.62746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)CN4CCN(CC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)CN4CCN(CC4)C

InChI

InChI=1S/C25H34N4O3S/c1-3-32-19-11-9-18(10-12-19)26-24(31)23-20-7-5-4-6-8-21(20)33-25(23)27-22(30)17-29-15-13-28(2)14-16-29/h9-12H,3-8,13-17H2,1-2H3,(H,26,31)(H,27,30)