N-(2-azanyl-4-methylsulfanyl-butanoyl)-2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]benzamide

Systemtic Name: N-(2-azanyl-4-methylsulfanyl-butanoyl)-2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]benzamide Openeye Name: N-(2-amino-4-methylsulfanyl-butanoyl)-2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzamide CAS Name: N-[2-amino-4-(methylthio)-1-oxobutyl]-2-(2-methylphenyl)-4-[(E)-2-(3-pyridinyl)ethenyl]benzamide IUPAC Name: N-(2-amino-4-methylsulfanylbutanoyl)-2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]benzamide Traditional Name: N-[2-amino-4-(methylthio)butanoyl]-2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C=CC3=CN=CC=C3)C(=O)NC(=O)C(CCSC)N

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)/C=C/C3=CN=CC=C3)C(=O)NC(=O)C(CCSC)N

InChI

InChI=1S/C26H27N3O2S/c1-18-6-3-4-8-21(18)23-16-19(9-10-20-7-5-14-28-17-20)11-12-22(23)25(30)29-26(31)24(27)13-15-32-2/h3-12,14,16-17,24H,13,15,27H2,1-2H3,(H,29,30,31)/b10-9+