N-[4-[5-ethoxy-4-[3-(octadecylcarbamoyl)phenyl]sulfanyl-3-oxidanylidene-1H-pyrazol-2-yl]phenyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[4-[5-ethoxy-4-[3-(octadecylcarbamoyl)phenyl]sulfanyl-3-oxidanylidene-1H-pyrazol-2-yl]phenyl]-3,5-dimethoxy-benzamide Openeye Name: N-[4-[5-ethoxy-4-[3-(octadecylcarbamoyl)phenyl]sulfanyl-3-oxo-1H-pyrazol-2-yl]phenyl]-3,5-dimethoxy-benzamide CAS Name: N-[4-[5-ethoxy-4-[[3-[(octadecylamino)-oxomethyl]phenyl]thio]-3-oxo-1H-pyrazol-2-yl]phenyl]-3,5-dimethoxybenzamide IUPAC Name: N-[4-[5-ethoxy-4-[3-(octadecylcarbamoyl)phenyl]sulfanyl-3-oxo-1H-pyrazol-2-yl]phenyl]-3,5-dimethoxybenzamide Traditional Name: N-[4-[3-ethoxy-5-keto-4-[[3-(stearylcarbamoyl)phenyl]thio]-3-pyrazolin-1-yl]phenyl]-3,5-dimethoxy-benzamide Formula: C45H62N4O6S MolecularWeight: 787.06198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)SC2=C(NN(C2=O)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)OC)OC)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)SC2=C(NN(C2=O)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)OC)OC)OCC

InChI

InChI=1S/C45H62N4O6S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29-46-42(50)34-23-22-24-40(32-34)56-41-44(55-6-2)48-49(45(41)52)37-27-25-36(26-28-37)47-43(51)35-30-38(53-3)33-39(31-35)54-4/h22-28,30-33,48H,5-21,29H2,1-4H3,(H,46,50)(H,47,51)