N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]butan-2-yl]benzamide

Systemtic Name: N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]butan-2-yl]benzamide Openeye Name: N-[(1R)-1-[(1-benzyl-3-phenyl-pyrazol-4-yl)methylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[(2R)-4-(methylthio)-1-oxo-1-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]butan-2-yl]benzamide IUPAC Name: N-[(2R)-1-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1R)-1-[(1-benzyl-3-phenyl-pyrazol-4-yl)methylcarbamoyl]-3-(methylthio)propyl]benzamide Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CSCC[C@H](C(=O)NCC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H30N4O2S/c1-36-18-17-26(31-28(34)24-15-9-4-10-16-24)29(35)30-19-25-21-33(20-22-11-5-2-6-12-22)32-27(25)23-13-7-3-8-14-23/h2-16,21,26H,17-20H2,1H3,(H,30,35)(H,31,34)/t26-/m1/s1