4-azanyl-5-chloranyl-N-[1-[(1-pyrrolidin-1-ylcarbothioylpiperidin-4-yl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

Systemtic Name: 4-azanyl-5-chloranyl-N-[1-[(1-pyrrolidin-1-ylcarbothioylpiperidin-4-yl)methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide Openeye Name: 4-amino-5-chloro-N-[1-[[1-(pyrrolidine-1-carbothioyl)-4-piperidyl]methyl]-4-piperidyl]-2,3-dihydrobenzofuran-7-carboxamide CAS Name: 4-amino-5-chloro-N-[1-[[1-[1-pyrrolidinyl(sulfanylidene)methyl]-4-piperidinyl]methyl]-4-piperidinyl]-2,3-dihydrobenzofuran-7-carboxamide IUPAC Name: 4-amino-5-chloro-N-[1-[[1-(pyrrolidine-1-carbothioyl)piperidin-4-yl]methyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide Traditional Name: 4-amino-5-chloro-N-[1-[[1-(pyrrolidine-1-carbothioyl)-4-piperidyl]methyl]-4-piperidyl]coumaran-7-carboxamide Formula: C25H36ClN5O2S MolecularWeight: 506.10364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)N2CCC(CC2)CN3CCC(CC3)NC(=O)C4=CC(=C(C5=C4OCC5)N)Cl

Isomeric SMILES

C1CCN(C1)C(=S)N2CCC(CC2)CN3CCC(CC3)NC(=O)C4=CC(=C(C5=C4OCC5)N)Cl

InChI

InChI=1S/C25H36ClN5O2S/c26-21-15-20(23-19(22(21)27)7-14-33-23)24(32)28-18-5-10-29(11-6-18)16-17-3-12-31(13-4-17)25(34)30-8-1-2-9-30/h15,17-18H,1-14,16,27H2,(H,28,32)