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

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]butan-2-yl]furan-2-carboxamide Openeye Name: N-[1-[(1-benzyl-3-phenyl-pyrazol-4-yl)methylcarbamoyl]-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[4-(methylthio)-1-oxo-1-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]butan-2-yl]-2-furancarboxamide IUPAC Name: N-[1-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[1-[(1-benzyl-3-phenyl-pyrazol-4-yl)methylcarbamoyl]-3-(methylthio)propyl]-2-furamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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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=CO4

Isomeric SMILES

CSCCC(C(=O)NCC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C27H28N4O3S/c1-35-16-14-23(29-27(33)24-13-8-15-34-24)26(32)28-17-22-19-31(18-20-9-4-2-5-10-20)30-25(22)21-11-6-3-7-12-21/h2-13,15,19,23H,14,16-18H2,1H3,(H,28,32)(H,29,33)