N-[1-(dimethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylamino)benzamide

Systemtic Name: N-[1-(dimethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylamino)benzamide Openeye Name: N-[1-(dimethylcarbamoyl)-3-methylsulfanyl-propyl]-2-phenyl-4-(3-pyridylmethylamino)benzamide CAS Name: N-[1-(dimethylamino)-4-(methylthio)-1-oxobutan-2-yl]-2-phenyl-4-(3-pyridinylmethylamino)benzamide IUPAC Name: N-[1-(dimethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylamino)benzamide Traditional Name: N-[1-(dimethylcarbamoyl)-3-(methylthio)propyl]-2-phenyl-4-(3-pyridylmethylamino)benzamide Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H30N4O2S/c1-30(2)26(32)24(13-15-33-3)29-25(31)22-12-11-21(28-18-19-8-7-14-27-17-19)16-23(22)20-9-5-4-6-10-20/h4-12,14,16-17,24,28H,13,15,18H2,1-3H3,(H,29,31)