N-[2-azanyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-N-methyl-3,4-dihydro-2H-thiochromene-4-carboxamide

Systemtic Name: N-[2-azanyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-N-methyl-3,4-dihydro-2H-thiochromene-4-carboxamide Openeye Name: N-[2-amino-2-[4-(4-pyridylcarbamoyl)phenyl]ethyl]-N-methyl-thiochromane-4-carboxamide CAS Name: N-[2-amino-2-[4-[oxo-(pyridin-4-ylamino)methyl]phenyl]ethyl]-N-methyl-3,4-dihydro-2H-1-benzothiopyran-4-carboxamide IUPAC Name: N-[2-amino-2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]-N-methyl-3,4-dihydro-2H-thiochromene-4-carboxamide Traditional Name: N-[2-amino-2-[4-(4-pyridylcarbamoyl)phenyl]ethyl]-N-methyl-thiochroman-4-carboxamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(C1=CC=C(C=C1)C(=O)NC2=CC=NC=C2)N)C(=O)C3CCSC4=CC=CC=C34

Isomeric SMILES

CN(CC(C1=CC=C(C=C1)C(=O)NC2=CC=NC=C2)N)C(=O)C3CCSC4=CC=CC=C34

InChI

InChI=1S/C25H26N4O2S/c1-29(25(31)21-12-15-32-23-5-3-2-4-20(21)23)16-22(26)17-6-8-18(9-7-17)24(30)28-19-10-13-27-14-11-19/h2-11,13-14,21-22H,12,15-16,26H2,1H3,(H,27,28,30)