N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C25H28N4O3S2 MolecularWeight: 496.64482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3S2/c1-19(33-24-17-23(26-18-27-24)20-9-5-4-6-10-20)25(30)28-21-11-13-22(14-12-21)34(31,32)29-15-7-2-3-8-16-29/h4-6,9-14,17-19H,2-3,7-8,15-16H2,1H3,(H,28,30)