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

Systemtic Name: N-(2-benzamido-4-methylsulfanyl-butanoyl)-2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]benzamide Openeye Name: N-(2-benzamido-4-methylsulfanyl-butanoyl)-2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzamide CAS Name: N-[2-benzamido-4-(methylthio)-1-oxobutyl]-2-(2-methylphenyl)-4-[(E)-2-(3-pyridinyl)ethenyl]benzamide IUPAC Name: N-(2-benzamido-4-methylsulfanylbutanoyl)-2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]benzamide Traditional Name: N-[2-benzamido-4-(methylthio)butanoyl]-2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzamide Formula: C33H31N3O3S MolecularWeight: 549.68254

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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)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)/C=C/C3=CN=CC=C3)C(=O)NC(=O)C(CCSC)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C33H31N3O3S/c1-23-9-6-7-13-27(23)29-21-24(14-15-25-10-8-19-34-22-25)16-17-28(29)32(38)36-33(39)30(18-20-40-2)35-31(37)26-11-4-3-5-12-26/h3-17,19,21-22,30H,18,20H2,1-2H3,(H,35,37)(H,36,38,39)/b15-14+