N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C25H28N4O3S2 MolecularWeight: 496.64482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCSC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3S2/c30-24(14-17-33-25-18-23(26-19-27-25)20-8-4-3-5-9-20)28-21-10-12-22(13-11-21)34(31,32)29-15-6-1-2-7-16-29/h3-5,8-13,18-19H,1-2,6-7,14-17H2,(H,28,30)