N-(4-azanylcyclohexyl)-3-chloranyl-N-[(3-methoxy-4-pyrimidin-2-yl-phenyl)methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-chloranyl-N-[(3-methoxy-4-pyrimidin-2-yl-phenyl)methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-3-chloro-N-[(3-methoxy-4-pyrimidin-2-yl-phenyl)methyl]benzothiophene-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-3-chloro-N-[[3-methoxy-4-(2-pyrimidinyl)phenyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-aminocyclohexyl)-3-chloro-N-[(3-methoxy-4-pyrimidin-2-ylphenyl)methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-3-chloro-N-[3-methoxy-4-(2-pyrimidyl)benzyl]benzothiophene-2-carboxamide Formula: C27H27ClN4O2S MolecularWeight: 507.04688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CCC(CC2)N)C(=O)C3=C(C4=CC=CC=C4S3)Cl)C5=NC=CC=N5

Isomeric SMILES

COC1=C(C=CC(=C1)CN(C2CCC(CC2)N)C(=O)C3=C(C4=CC=CC=C4S3)Cl)C5=NC=CC=N5

InChI

InChI=1S/C27H27ClN4O2S/c1-34-22-15-17(7-12-20(22)26-30-13-4-14-31-26)16-32(19-10-8-18(29)9-11-19)27(33)25-24(28)21-5-2-3-6-23(21)35-25/h2-7,12-15,18-19H,8-11,16,29H2,1H3