4-[3-(3-methyl-4-morpholin-4-ylcarbonyl-phenyl)prop-2-ynylsulfanyl]benzenecarboximidamide

Systemtic Name: 4-[3-(3-methyl-4-morpholin-4-ylcarbonyl-phenyl)prop-2-ynylsulfanyl]benzenecarboximidamide Openeye Name: 4-[3-[3-methyl-4-(morpholine-4-carbonyl)phenyl]prop-2-ynylsulfanyl]benzamidine CAS Name: 4-[3-[3-methyl-4-[4-morpholinyl(oxo)methyl]phenyl]prop-2-ynylthio]benzenecarboximidamide IUPAC Name: 4-[3-[3-methyl-4-(morpholine-4-carbonyl)phenyl]prop-2-ynylsulfanyl]benzenecarboximidamide Traditional Name: 4-[3-[3-methyl-4-(morpholine-4-carbonyl)phenyl]prop-2-ynylthio]benzamidine Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCSC2=CC=C(C=C2)C(=N)N)C(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCSC2=CC=C(C=C2)C(=N)N)C(=O)N3CCOCC3

InChI

InChI=1S/C22H23N3O2S/c1-16-15-17(4-9-20(16)22(26)25-10-12-27-13-11-25)3-2-14-28-19-7-5-18(6-8-19)21(23)24/h4-9,15H,10-14H2,1H3,(H3,23,24)